Small polaron hopping transport along DNA molecules
NASA Astrophysics Data System (ADS)
Triberis, G. P.; Simserides, C.; Karavolas, V. C.
2005-05-01
We present a small polaron hopping model for interpreting the strong temperature (T) dependence of the electrical conductivity, σ, observed at high (h) temperatures along DNA molecules. The model takes into account the one-dimensional character of the system and the presence of disorder in the DNA double helix. Percolation-theoretical considerations lead to analytical expressions for the high temperature multiphonon-assisted small polaron hopping conductivity, the hopping distance and their temperature dependence. The experimental data for lambda phage DNA (λ-DNA) and poly(dA)-poly(dT) DNA follow nicely the theoretically predicted behaviour (lnσh~T-2/3). Moreover, our model leads to realistic values of the maximum hopping distances, supporting the idea of multiphonon-assisted hopping of small polarons between next nearest neighbours of the DNA molecular 'wire'. The low temperature case is also investigated.
BLF-SSH polarons coupled to acoustic phonons in the adiabatic limit
NASA Astrophysics Data System (ADS)
Chandler, Carl J.; Marsiglio, F.
2014-12-01
We survey polaron formation in the Barisić-Labbé-Friedel and Su-Schrieffer-Heeger (BLF-SSH) model using acoustic phonons in the adiabatic limit. Multiple different numerical optimization routines and strong-coupling analytical calculations are used to find a robust ground-state energy for a wide range of coupling strengths. The electronic configuration and accompanying ionic distortions of the polaron were determined, as well as a nonzero critical coupling strength for polaron formation in two and three dimensions.
Unravelling Small-Polaron Transport in Metal Oxide Photoelectrodes.
Rettie, Alexander J E; Chemelewski, William D; Emin, David; Mullins, C Buddie
2016-02-01
Transition-metal oxides are a promising class of semiconductors for the oxidation of water, a process that underpins both photoelectrochemical water splitting and carbon dioxide reduction. However, these materials are limited by very slow charge transport. This is because, unlike conventional semiconductors, material aspects of metal oxides favor the formation of slow-moving, self-trapped charge carriers: small polarons. In this Perspective, we seek to highlight the salient features of small-polaron transport in metal oxides, offer guidelines for their experimental characterization, and examine recent transport studies of two prototypical oxide photoanodes: tungsten-doped monoclinic bismuth vanadate (W:BiVO4) and titanium-doped hematite (Ti:α-Fe2O3). Analysis shows that conduction in both materials is well-described by the adiabatic small-polaron model, with electron drift mobility (distinct from the Hall mobility) values on the order of 10(-4) and 10(-2) cm(2) V(-1) s(-1), respectively. Future directions to build a full picture of charge transport in this family of materials are discussed. PMID:26758715
Chang, Hung-Tzu; Cheng, Yuan-Chung; Zhang, Pan-Pan
2013-12-14
The small polaron quantum master equation (SPQME) proposed by Jang et al. [J. Chem. Phys. 129, 101104 (2008)] is a promising approach to describe coherent excitation energy transfer dynamics in complex molecular systems. To determine the applicable regime of the SPQME approach, we perform a comprehensive investigation of its accuracy by comparing its simulated population dynamics with numerically exact quasi-adiabatic path integral calculations. We demonstrate that the SPQME method yields accurate dynamics in a wide parameter range. Furthermore, our results show that the accuracy of polaron theory depends strongly upon the degree of exciton delocalization and timescale of polaron formation. Finally, we propose a simple criterion to assess the applicability of the SPQME theory that ensures the reliability of practical simulations of energy transfer dynamics with SPQME in light-harvesting systems.
Small hole polarons in rare-earth titanates
Bjaalie, L.; Moetakef, P.; Cain, T. A.; Janotti, A.; Himmetoglu, B.; Stemmer, S.; Van de Walle, C. G.; Ouellette, D. G.; Allen, S. J.
2015-06-08
We investigate the behavior of hole polarons in rare-earth titanates by combining optical conductivity measurements with first-principles hybrid density functional calculations. Sr-doped GdTiO{sub 3} (Gd{sub 1−x}Sr{sub x}TiO{sub 3}) was grown by molecular beam epitaxy. We show that a feature in the optical conductivity that was previously identified with the Mott-Hubbard gap is actually associated with the excitation of a small polaron. The assignment is based on an excellent match between the experimental spectra and first-principles calculations for polaron excitation mechanisms.
TOPICAL REVIEW: O- bound small polarons in oxide materials
NASA Astrophysics Data System (ADS)
Schirmer, O. F.
2006-11-01
Holes bound to acceptor defects in oxide crystals are often localized by lattice distortion at just one of the equivalent oxygen ligands of the defect. Such holes thus form small polarons in symmetric clusters of a few oxygen ions. An overview on mainly the optical manifestations of those clusters is given. The article is essentially divided into two parts: the first one covers the basic features of the phenomena and their explanations, exemplified by several paradigmatic defects; in the second part numerous oxide materials are presented which exhibit bound small polaron optical properties. The first part starts with summaries on the production of bound hole polarons and the identification of their structure. It is demonstrated why they show strong, wide absorption bands, usually visible, based on polaron stabilization energies of typically 1 eV. The basic absorption process is detailed with a fictitious two-well system. Clusters with four, six and twelve equivalent ions are realized in various oxide compounds. In these cases several degenerate optically excited polaron states occur, leading to characteristic final state resonance splittings. The peak energies of the absorption bands as well as the sign of the transfer energy depend on the topology of the clusters. A special section is devoted to the distinction between interpolaron and intrapolaron optical transitions. The latter are usually comparatively weak. The oxide compounds exhibiting bound hole small polaron absorptions include the alkaline earth oxides (e.g. MgO), BeO and ZnO, the perovskites BaTiO3 and KTaO3, quartz, the sillenites (e.g. Bi12TiO20), Al2O3, LiNbO3, topaz and various other materials. There are indications that the magnetic crystals NiO, doped with Li, and LaMnO3, doped with Sr, also show optical features caused by bound hole polarons. Beyond being elementary paradigms for the properties of small polarons in general, the defect species treated can be used to explain radiation and light
Vacancies and small polarons in SrTiO3
NASA Astrophysics Data System (ADS)
Janotti, Anderson; Varley, Joel B.; Choi, Minseok; Van de Walle, Chris G.
2014-08-01
Using first-principles calculations we investigate the impact of intrinsic defects and small polarons on the electrical and optical properties of SrTiO3. We pay special attention to the seemingly contradictory role of oxygen vacancies as shallow donor and source of deep-level luminescence, as reported in the literature. We find that oxygen vacancies are double donors, and that one electron is easily ionized, explaining the shallow donor behavior. The second electron is trapped in the form of a small polaron, and this additional binding energy explains the behavior as a deep center that gives rise to blue luminescence. At low temperatures, holes become self-trapped, and recombination of free electrons with self-trapped holes gives rise to green luminescence. These results explain the intricate interplay between the observed green and blue luminescence in SrTiO3, and form a framework for interpreting similar phenomena in other complex oxides.
Thermoelectric power of small polarons in magnetic semiconductors
Liu, N.H.; Emin, D.
1984-09-15
The thermoelectric power (Seebeck coefficient) ..cap alpha.. of a small polaron in both ferromagnetic and antiferromagnetic semiconductors and insulators is calculated for the first time. In particular, we obtain the contribution to the Seebeck coefficient arising from exchange interactions between the severely localized carrier (i.e., small polaron) of charge q and the spins of the host lattice. In essence, we study the heat transported along with a carrier. This heat, the Peltier heat, Pi, is related to the Seebeck coefficient by the Kelvin relation: Pi = qT..cap alpha.., where T is the temperature. The heat per carrier is simply the product of the temperature and the change of the entropy of the system when a small polaron is added to it. The magnetic contribution to the Seebeck coefficient is therefore directly related to the change of the magnetic entropy of the system upon introduction of a charge carrier. We explicitly treat the intrasite and intersite exchange interactions between a small polaron and the spins of a spin-1/2 system. These magnetic interactions produce two competing contributions to the Seebeck coefficient. First, adding the carrier tends to provide extra spin freedom (e.g., spin up or spin down of the carrier). This effect augments the entropy of the system, thereby producing a positive contribution to the Peltier heat. Second, however, the additional exchange between the carrier and the sites about it enhances the exchange binding among these sites. This generally reduces the energetically allowable spin configurations. The concomitant reduction of the system's entropy provides a negative contribution to the Peltier heat. At the highest of temperatures, when kT exceeds the intrasite exchange energy, the first effect dominates. Then, the Peltier heat is simply augmented by kT ln2.
Small polarons and point defects in barium cerate
NASA Astrophysics Data System (ADS)
Swift, Michael; Janotti, Anderson; Van de Walle, Chris G.
2015-12-01
Barium cerate (BaCeO3) is a well-known ionic conductor of both hydrogen and oxygen. In applications, it is frequently doped (for instance with Y) to increase stability and promote diffusion. However, the effects of doping and native defects are not fully understood. Computational studies have been stymied by the nature of the conduction band, which is made up of cerium 4 f states. These states present a challenge to ab initio techniques based on density functional theory within the standard approximations for exchange and correlation. Using a hybrid functional, we investigate the effects of hydrogen impurities and native defects on the electrical and optical properties of BaCeO3. We discuss the tendency of excess electrons or holes to localize in the form of small polarons. We also explore the interactions of polarons with hydrogen impurities and oxygen vacancies, and their impact on luminescence properties.
Peltier heat of a small polaron in a magnetic semiconductor
Liu, N.H.; Emin, D.
1985-04-15
For the first time the heat transported with a small polaron in both antiferromagnetic and ferromagnetic semiconductors is calculated. This heat, the Peltier heat, ..pi.., is obtained from the change of the entropy of the total system upon introduction of a charge carrier. We explicitly consider both the intrasite and intersite exchange interactions between a small polaron and the interacting spins of a spin-1/2 magnet. There are two competing magnetic contributions to the Peltier heat. First, adding the carrier increases the spin entropy of the system. This provides a positive contribution to ..pi... Second, the exchange between the carrier and the sites about it enhances the exchange binding between these sites. This reduces the energetically allowable spin configurations and provides a negative contribution to ..pi... At extremely high temperatures when kT exceeds the intrasite exchange energy, the first effect dominates. Then ..pi.. is simply augmented by kT ln 2. However, well below the magnetic transition temperature the second effect dominates. In the experimentally accessible range between these limits both effects are comparable and sizable. The net magnetic contribution to the Peltier heat rises with temperature. Thus, a carrier's interactions with its magnetic environment produces a significant and distinctive contribution to its Peltier heat.
Peltier heat of a small polaron in a magnetic semiconductor
Liu, N.L.H.; Emin, D.
1984-01-01
The heat transported with a small polaron in both antiferromagnetic and ferromagnetic semiconductors is calculated. This heat, the Peltier heat, ..pi.., is obtained from the change of the entropy of the total system upon introduction of a charge carrier. We explicitly consider both the intrasite and intersite exchange interactions between a small polaron and the interacting spins of a spin-1/2 magnet. There are two competing magnetic contributions to the Peltier heat. First, adding the carrier increases the spin entropy of the system. This provides a positive contribution to ..pi... Second, the exchange between the carrier and the sites about it enhances the exchange binding between these sites. This reduces the energetically allowable spin configurations and provides a negative contribution to ..pi... At extremely high temperature when kT exceeds the intrasite exchange energy, the first effect dominates. Then ..pi.. is simply augmented by kTln2. However, well below the magnetic transition temperature the second effect dominates. In the experimentally accessible range between these limits both effects are comparable and sizable. The net magnetic contribution to the Peltier heat rises with temperature. Thus, a carrier's interactions with its magnetic environment produces a significant and distinctive contribution to its Peltier heat.
Spectroscopic Evidence of Formation of Small Polarons in Doped Manganites
NASA Astrophysics Data System (ADS)
Moritomo, Yutaka; Machida, Akihiko; Nakamura, Arao
1998-03-01
Temperature dependence of absorption spectra for thin films of doped manganites R_0.6Sr_0.4MnO_3, where R is rare-earth atom, has been investigated systematically changing averaged ionic radius < rA > of perovskite A-site. We have observed a specific absorption band at ~1.5eV due to optical excitations from small polarons (SP)(Machida et al.), submitted.. Spectral weight of the SP band increases with decreasing temperature and eventually disappears at the insulator-metal (IM) transition, indicating that SP in the paramagnetic state (T >= T_C) changes into bare electrons (or large polarons) in the ferromagnetic state due to the enhanced one-electron bandwidth W. We further derived important physical quantities, i.e., W, on-site exchange interaction J and binding energy Ep of SP, and discuss material dependence of stability of SP. This work was supported by a Grant-In-Aid for Scientific Research from the Ministry of Education, Science, Sport and Culture and from PRESTO, Japan Scienece and Technology Corporation (JST), Japan.
NASA Astrophysics Data System (ADS)
Wang, Zi; Bevan, Kirk H.
2016-01-01
In the present work, we study the effects of the electronic relaxation of semicore levels on polaron activation energies and dynamics. Within the framework of adiabatic ab initio theory, we utilize both static transition state theory and molecular dynamics methods for an in-depth study of polaronic hopping in delithiated LiFePO4 (FePO4). Our results show that electronic relaxation of semicore states is significant in FePO4, resulting in a lower activation barrier and kinetics that is one to two orders faster compared to the result of calculations that do not incorporate semicore states. In general, the results suggest that the relaxation of states far below the Fermi energy could dramatically impact the ab initio polaronic barrier estimates for many transition metal oxides and phosphates.
Infrared absorption spectra of molecular crystals: Possible evidence for small-polaron formation?
NASA Astrophysics Data System (ADS)
Pržulj, Željko; Čevizović, Dalibor; Zeković, Slobodan; Ivić, Zoran
2008-09-01
The temperature dependence of the position of the so-called anomalous band peaked at 1650cm in the IR-absorption spectrum of crystalline acetanilide (ACN) is theoretically investigated within the small-polaron theory. Its pronounced shift towards the position of the normal band is predicted with the rise of temperature. Interpretation of the IR-absorption spectra in terms of small-polaron model has been critically assessed on the basis of these results.
High temperature electrical conductivity due to small polaron hopping motion in DNA molecules
NASA Astrophysics Data System (ADS)
Triberis, G. P.; Karavolas, V. C.; Simserides, C. D.
2005-01-01
We present a small polaron hopping model to interpret the high-temperature electrical conductivity measured along the DNA molecules. The model takes into account the one-dimensional character of the system and the presence of disorder in the DNA double helix. The experimental data for the lambda phage DNA (λ-DNA) and the poly(dA)-poly(dT) DNA follow nicely the theoretically predicted behavior leading to realistic values of the maximum hopping distances supporting the idea of multiphonon-assisted hopping of small polarons between next nearest neighbors of the DNA molecular "wire".
Small polarons and point defects in LaFeO3
NASA Astrophysics Data System (ADS)
Zhu, Zhen; Peelaers, Hartwin; van de Walle, Chris G.
The proton-conductive perovskite-type LaFeO3 is a promising negative-electrode material for Ni/metal-hydride (Ni-MH) batteries. It has a discharge capacity up to 530 mAhg-1 at 333 K, which is significantly higher than commercialized AB5-type alloys. To elucidate the underlying mechanism of this performance, we have investigated the structural and electronic properties of bulk LaFeO3, as well as the effect of point defects, using hybrid density functional methods. LaFeO3 is antiferromagnetic in the ground state with a band gap of 3.54 eV. Small hole and electron polarons can form through self- or point-defect-assisted trapping. We find that La vacancies and Sr substitutional on La sites are shallow acceptors with the induced holes trapped as small polarons, while O and Fe vacancies are deep defect centers. Hydrogen interstitials behave like shallow donors, with the donor electrons localized on nearby iron sites as electron polarons. With a large trapping energy, these polarons can act as electron or hole traps and affect the electrical performance of LaFeO3 as the negative electrode for Ni-MH batteries. We acknowledge DOE for financial support.
Point defects, impurities, and small hole polarons in GdTiO3
NASA Astrophysics Data System (ADS)
Bjaalie, L.; Janotti, A.; Krishnaswamy, K.; Van de Walle, C. G.
2016-03-01
The electronic structure of native defects and impurities in GdTiO3, a rare-earth titanate Mott insulator, is studied using density functional theory with a hybrid functional. Among native defects, the cation vacancies have the lowest formation energies in oxygen-rich conditions and oxygen vacancies have the lowest formation energy in oxygen-poor conditions. Among the impurities, SrGd,Hi, and CO have low formation energies. A common feature of the native defects and impurities is that they lead to the formation of small hole polarons, which explains the frequent observation of p -type hopping conductivity in the rare-earth titanates. These small hole polarons also lead to optical absorption and act as electron traps in devices.
Impurity effects on polaron-exciton formation in conjugated polymers
Ribeiro, Luiz Antonio Ferreira da Cunha, Wiliam; Neto de Oliveira, Pedro Henrique; Gargano, Ricardo; Magela e Silva, Geraldo
2013-11-07
Combining the one-dimensional tight-binding Su-Schrieffer-Heeger model and the extended Hubbard model, the collision of two oppositely charged polarons is investigated under the influence of impurity effects using a non-adiabatic evolution method. Results show that electron-electron interactions have direct influence on the charge distribution coupled to the polaron-exciton lattice defect. Additionally, the presence of an impurity in the collisional process reduces the critical electric field for the polaron-exciton formation. In the small electric field regime, the impurity effects open three channels and are of fundamental importance to favor the polaron-exciton creation. The results indicate that the scattering between polarons in the presence of impurities can throw a new light on the description of electroluminescence in conjugated polymer systems.
High-density Two-Dimensional Small Polaron Gas in a Delta-Doped Mott Insulator
Ouellette, Daniel G.; Moetakef, Pouya; Cain, Tyler A.; Zhang, Jack Y.; Stemmer, Susanne; Emin, David; Allen, S. James
2013-01-01
Heterointerfaces in complex oxide systems open new arenas in which to test models of strongly correlated material, explore the role of dimensionality in metal-insulator-transitions (MITs) and small polaron formation. Close to the quantum critical point Mott MITs depend on band filling controlled by random disordered substitutional doping. Delta-doped Mott insulators are potentially free of random disorder and introduce a new arena in which to explore the effect of electron correlations and dimensionality. Epitaxial films of the prototypical Mott insulator GdTiO3 are delta-doped by substituting a single (GdO)+1 plane with a monolayer of charge neutral SrO to produce a two-dimensional system with high planar doping density. Unlike metallic SrTiO3 quantum wells in GdTiO3 the single SrO delta-doped layer exhibits thermally activated DC and optical conductivity that agree in a quantitative manner with predictions of small polaron transport but with an extremely high two-dimensional density of polarons, ~7 × 1014 cm−2. PMID:24257578
Analog of small Holstein polaron in hydrogen-bonded amide systems
NASA Astrophysics Data System (ADS)
Alexander, D. M.
1985-01-01
A class of amide-I (C = O stretch) related excitations and their contribution to the spectral function for infrared absorption is determined by use of the Davydov Hamiltonian. The treatment is a fully quantum, finite-temperature one. A consistent picture and a quantitative fit to the absorption data for crystalline acetanilide confirms that the model adequately explains the anomalous behavior cited by Careri et al. The localized excitation responsible for this behavior is the vibronic analog of the small Holstein polaron. The possible extension to other modes and biological relevance is examined.
NASA Astrophysics Data System (ADS)
Triana, C. A.; Granqvist, C. G.; Niklasson, G. A.
2015-07-01
Thin films of Li x WO 3 - z with 0 ≤ x ≤ 0.27 and 0 ≤ z ≤ 0.27 were prepared by sputter deposition followed by electrochemical lithiation. Kramers-Kronig-consistent complex dielectric functions were obtained for these films by numerical inversion of experimental spectra of optical transmittance and reflectance by using a superposition of Tauc-Lorentz and Lorentz oscillator models. Low-energy optical absorption bands were induced by oxygen vacancies and/or by electrochemical intercalation of Li+ species together with charge compensating electrons. The experimental optical conductivity was fitted to a small-polaron model for disordered systems with strong electron-phonon interaction, taking into account transitions near the Fermi level. The optical absorption is due to small-polaron hopping and associated with the formation of W5+ states due to transfer of electrons from oxygen vacancies and/or insertion of Li+ species. The results also show increases in the Fermi level, caused by oxygen deficiency or Li+ insertion, which occur along with a band gap shift towards higher energies for the Li+ intercalated films.
Anisotropic small-polaron hopping in W:BiVO{sub 4} single crystals
Rettie, Alexander J. E.; Chemelewski, William D.; Zhou, Jianshi; Lindemuth, Jeffrey; McCloy, John S.; Marshall, Luke G.; Emin, David; Mullins, C. Buddie
2015-01-12
DC electrical conductivity, Seebeck and Hall coefficients are measured between 300 and 450 K on single crystals of monoclinic bismuth vanadate that are doped n-type with 0.3% tungsten donors (W:BiVO{sub 4}). Strongly activated small-polaron hopping is implied by the activation energies of the Arrhenius conductivities (about 300 meV) greatly exceeding the energies characterizing the falls of the Seebeck coefficients' magnitudes with increasing temperature (about 50 meV). Small-polaron hopping is further evidenced by the measured Hall mobility in the ab-plane (10{sup −1 }cm{sup 2 }V{sup −1 }s{sup −1} at 300 K) being larger and much less strongly activated than the deduced drift mobility (about 5 × 10{sup −5 }cm{sup 2 }V{sup −1 }s{sup −1} at 300 K). The conductivity and n-type Seebeck coefficient is found to be anisotropic with the conductivity larger and the Seebeck coefficient's magnitude smaller and less temperature dependent for motion within the ab-plane than that in the c-direction. These anisotropies are addressed by considering highly anisotropic next-nearest-neighbor (≈5 Å) transfers in addition to the somewhat shorter (≈4 Å), nearly isotropic nearest-neighbor transfers.
Anisotropic small-polaron hopping in W:BiVO4 single crystals
NASA Astrophysics Data System (ADS)
Rettie, Alexander J. E.; Chemelewski, William D.; Lindemuth, Jeffrey; McCloy, John S.; Marshall, Luke G.; Zhou, Jianshi; Emin, David; Mullins, C. Buddie
2015-01-01
DC electrical conductivity, Seebeck and Hall coefficients are measured between 300 and 450 K on single crystals of monoclinic bismuth vanadate that are doped n-type with 0.3% tungsten donors (W:BiVO4). Strongly activated small-polaron hopping is implied by the activation energies of the Arrhenius conductivities (about 300 meV) greatly exceeding the energies characterizing the falls of the Seebeck coefficients' magnitudes with increasing temperature (about 50 meV). Small-polaron hopping is further evidenced by the measured Hall mobility in the ab-plane (10-1 cm2 V-1 s-1 at 300 K) being larger and much less strongly activated than the deduced drift mobility (about 5 × 10-5 cm2 V-1 s-1 at 300 K). The conductivity and n-type Seebeck coefficient is found to be anisotropic with the conductivity larger and the Seebeck coefficient's magnitude smaller and less temperature dependent for motion within the ab-plane than that in the c-direction. These anisotropies are addressed by considering highly anisotropic next-nearest-neighbor (≈5 Å) transfers in addition to the somewhat shorter (≈4 Å), nearly isotropic nearest-neighbor transfers.
NASA Astrophysics Data System (ADS)
Dahiya, M. S.; Khasa, S.; Yadav, Arti; Agarwal, A.
2016-05-01
Lithium bismuth borate glasses containing different amounts of cobalt and iron oxides having chemical composition xFe2O3•(20-x)CoO•30Li2O•10Bi2O3•40B2O3 (x = 0, 5, 10, 15 and 20 mol% abbreviated as CFLBB1-5 respectively) prepared via melt quench technique have been investigated for their dc electrical conductivity. The amorphous nature of prepared glasses has been confirmed through X-ray diffraction measurements. The dc electrical conductivity has been analyzed by applying Mott's small polaron hopping model. Activation energies corresponding to lower and higher temperature region have been evaluated. The iron ion concentration (N), mean spacing between iron ions (R) and polaron radius (Rp) has been evaluated using the values of phonon radius (Rph) and Debye temperature (θD). The glass sample without iron (CFLBB1) shows ionic conductivity but the incorporation of iron in the glass matrix results in the appearance of electronic conductivity.
Point defects, impurities, and small hole polarons in GdTiO3
NASA Astrophysics Data System (ADS)
Bjaalie, Lars; Janotti, Anderson; Krishnaswamy, Karthik; van de Walle, Chris G.
GdTiO3(GTO) has become the focus of great interest because of its use in complex-oxide heterostructures that display two-dimensional electron gases with unprecedented high densities. GTO is a Mott insulator, with a band gap arising within the partially filled Ti 3 d band due to strong electron-electron interactions. GTO often displays hole conductivity, likely attributed to defects or impurities, yet the cause of this unintentional conductivity has not yet been explored. We therefore used density functional theory with a hybrid functional to study their electronic structure. Among native defects, the cation vacancies have the lowest formation energies in oxygen-rich conditions, and oxygen vacancies have the lowest formation energy in oxygen-poor conditions. Among the impurities, rGd, Hi and CO have the lowest formation energies. The defects and impurities are intrinsically stable only in a single ``natural'' charge state, to which various numbers of hole polarons can be bound, which explains the frequent observation of p-type hopping conductivity in the rare-earth titanates. These small hole polarons also lead to optical absorption and act as electron traps in devices. Work supported by NSF and by the LEAST Center.
Formation of small polarons in Li2O2 and implications for Li-air batteries
NASA Astrophysics Data System (ADS)
Kang, Joongoo; Jung, Yoon-Seok; Wei, Su-Huai; Dillon, Anne
2012-02-01
Lithium-air batteries (LABs) have recently been revitalized as a promising electrical energy storage system due to their exceptionally high theoretical energy density. However, its usage is limited by poor rate capability and large polarization in the cell voltage due primarily to the formation of Li2O2 in the air cathode. Here, using hybrid density functional theory, we found that the formation of small polarons in Li2O2 is the origin that limits the electron transport in Li2O2. Consequently, the low electron mobility contributes to the hysteresis in cell voltage and limits the power density of the LABs. We suggest that similar behavior should exist in other peroxides, and p-type doping in Li2O2 could significantly improve the performance of LABs at high current densities.
Donor defects and small polarons on the TiO2(110) surface
NASA Astrophysics Data System (ADS)
Moses, P. G.; Janotti, A.; Franchini, C.; Kresse, G.; Van de Walle, C. G.
2016-05-01
The role of defects in the chemical activity of the rutile TiO2(110) surface remains a rich topic of research, despite the rutile (110) being one of the most studied surfaces of transition-metal oxides. Here, we present results from hybrid functional calculations that reconcile apparently disparate views on the impact of donor defects, such as oxygen vacancies and hydrogen impurities, on the electronic structure of the (110) rutile surface. We find that the bridging oxygen vacancy and adsorbed or substitutional hydrogen are actually shallow donors, which do not induce gap states. The excess electrons from these donor centers tend to localize in the form of small polarons, which are the factual cause of the deep states ˜1 eV below the conduction band, often observed in photoelectron spectroscopy measurements. Our results offer a new framework for understanding the surface electronic structure of TiO2 and related oxides.
Delayed luminescence from collagen as arising from soliton and small polaron states
NASA Astrophysics Data System (ADS)
Scordino, Agata; Grasso, Rosaria; Gulino, Marisa; Lanzanà, Luca; Musumeci, Francesco; Privitera, Giuseppe; Tedesco, Maurizio; Triglia, Antonio; Brizhik, Larissa
With the aim to give more hints to a theoretical model that describes the phenomenon of delayed luminescence (DL) from biological systems as due to the collective electron states that are excited in macromolecular structures by external illumination, a spectral characterization of DL from bovine Achilles' tendons sample at different hydration states has been performed. Tendons are mainly composed by Type I collagen macromolecules which form a one-dimensional system with the long-range order and capability of self-organization, so favoring the existence of such collective excitations. Modeling the crystal structure of collagen as a one-dimensional chain whose unit cell is formed by a tripeptide, the ground state of the corresponding Hamitonian has been evaluated by a variational approach. The change in DL from bovine Achilles' tendons, depending on the water content of the sample, has been correlated to the change in the ground state of such one-dimensional lattice from a soliton state, for samples close to native, to a small polaron state, for samples that are much more dry.
Electron small polarons and their mobility in iron (oxyhydr)oxide nanoparticles
Katz, Jordan E.; Zhang, Xiaoyi; Attenkofer, Klaus; Chapman, Karena W.; Frandsen, Cathrine; Zarzycki, Piotr P.; Rosso, Kevin M.; Falcone, Roger; Waychunas, Glenn; Gilbert, Benjamin
2012-09-07
Redox-active transition metal (TM) oxides, hydroxide and oxyhydroxides semiconductors typically posses wide p-d charge-transfer band gaps and exhibit poor charge carrier mobility. Nevertheless, there is increasing evidence that electron mobility within TM (oxyhydr)oxides is a crucial feature of their redox reactivity, affecting the rates of interfacial reactions, outcomes of redox-driven phase transformations and enabling charge transfer between reactions occurring at widely-separated surface sites 1,2. In order to determine the links between crystal structure and charge transport efficiency on solid-phase redox reactivity we have applied a pump-probe method to observe directly the fate of electrons introduced into ferric iron (oxyhydr)oxide nanoparticles via ultrafast interfacial electron transfer3. Time-resolved X-ray spectroscopy observes the formation of reduced and structurally distorted metal sites consistent with small polarons. By tracking the lifetime of the reduced metal states, rate constants for thermally-activated cation-to-cation electron hopping in the solid can be measured with subnanosecond accuracy. Comparisons between different phases revealed that short-range structural topology, not long-range order, dominates the electron-hopping rate, and shed new insight into the structure and properties of the naturally-formed nanomaterial, ferrihydrite4. Lattice Monte Carlo simulations revealed that, on timescales relevant to solid-phase reactions, surface charge plays a commanding role in biasing electron conduction trajectories.
NASA Astrophysics Data System (ADS)
Stojanović, Vladimir M.; Vanević, Mihajlo; Demler, Eugene; Tian, Lin
2014-04-01
We propose an analog superconducting quantum simulator for a one-dimensional model featuring momentum-dependent (nonlocal) electron-phonon couplings of Su-Schrieffer-Heeger and "breathing-mode" types. Because its corresponding coupling vertex function depends on both the electron and phonon quasimomenta, this model does not belong to the realm of validity of the Gerlach-Löwen theorem that rules out any nonanalyticities in single-particle properties. The superconducting circuit behind the proposed simulator entails an array of transmon qubits and microwave resonators. By applying microwave driving fields to the qubits, a small-polaron Bloch state with an arbitrary quasimomentum can be prepared in this system within times several orders of magnitude shorter than the typical qubit decoherence times. We demonstrate that—by varying the externally tunable parameters—one can readily reach the critical coupling strength required for observing the sharp transition from a nondegenerate (single-particle) ground state corresponding to zero quasimomentum (Kgs=0) to a twofold-degenerate small-polaron ground state at nonzero quasimomenta Kgs and -Kgs. Through exact numerical diagonalization of our effective Hamiltonian, we show how this nonanalyticity is reflected in the relevant single-particle properties (ground-state energy, quasiparticle residue, average number of phonons). We also show that the proposed setup provides an ideal testbed for studying the nonequilibrium dynamics of small-polaron formation in the presence of strongly momentum-dependent electron-phonon interactions.
NASA Astrophysics Data System (ADS)
Triberis, Georgios; Simserides, Constantinos; Karavolas, Vasileios
2006-05-01
We discuss a small polaron hopping model, in order to explain the intense temperature ( T) dependence of the electrical conductivity (σ) observed at high temperatures along the DNA molecules. The model takes into account the one-dimensional character of the system as well as the presence of disorder in the DNA double helix. Theoretical considerations based on percolation lead to analytical expressions for the high temperature multiphonon-assisted small polaron hopping conductivity, the maximum hopping distance and their temperature dependence. For example, experimental data for the λ-phage DNA, the poly(dA)-poly(dT) DNA, and the native wet-spun calf thymus Li-DNA, follow nicely the theoretically predicted behavior, lnσh∝T, over wide high- T ranges. In contrast to some previously presented theoretical suggestions, our model leads to realistic values for the maximum hopping distances, supporting the idea of multiphonon-assisted hopping of small polarons between next nearest neighbors of the DNA molecular “wire”. We also examine the low temperature case.
NASA Astrophysics Data System (ADS)
Triana, C. A.; Granqvist, C. G.; Niklasson, G. A.
2016-01-01
Optical absorption in oxygen-deficient and Li+-ion inserted titanium oxide films was studied in the framework of small-polaron hopping. Non-stoichiometric TiOy films with 1.68 ≤ y ≤ 2.00 were deposited by reactive DC magnetron sputtering and were subjected to electrochemical intercalation of Li+-ions and charge-balancing electrons to obtain LixTiOy films with 0.12 ≤ x ≤ 0.34. Dispersion analysis was applied to calculate the complex dielectric function ɛ(ℏω) ≡ ɛ1(ℏω) + i ɛ2(ℏω) from numerical inversion of optical transmittance and reflectance spectra; a superposition of Tauc-Lorentz and Lorentz oscillator models was used for this purpose. Data on ɛ2(ℏω) were employed to calculate the optical conductivity and fit this property to a small-polaron model for disordered systems with strong electron-phonon interaction and involving transitions near the Fermi level. The introduction of oxygen vacancies and/or Li+ insertion yielded band gap widening by ˜0.20-0.35 eV, and both processes induced similar low-energy optical absorption. The small-polaron-based analysis indicated increases in the Fermi level by ˜0.15-0.3 eV for sub-stoichiometric and/or Li+-inserted films. This suggests the existence of polaronic Ti3+ states in the lower part of the conduction band arising from transfer of electrons from oxygen vacancies and/or inserted Li+ species. The present article is a sequel to an earlier paper on oxygen-deficient and/or Li+-inserted amorphous WOy thin films and forms part of a comprehensive investigation of optical absorption in amorphous transition metal oxides with different valence states of the metallic ions.
Implications of the Formation of Small Polarons in Li2O2 for Li-Air Batteries
Kang, J.; Jung, Y. S.; Wei, S. H.; Dillon, A. C.
2012-01-15
Lithium-air batteries (LABs) are an intriguing next-generation technology due to their high theoretical energy density of {approx}11 kWh/kg. However, LABs are hindered by both poor rate capability and significant polarization in cell voltage, primarily due to the formation of Li{sub 2}O{sub 2} in the air cathode. Here, by employing hybrid density functional theory, we show that the formation of small polarons in Li{sub 2}O{sub 2} limits electron transport. Consequently, the low electron mobility {mu} = 10{sup -10}-10{sup -9} cm{sup 2}/V s contributes to both the poor rate capability and the polarization that limit the LAB power and energy densities. The self-trapping of electrons in the small polarons arises from the molecular nature of the conduction band states of Li{sub 2}O{sub 2} and the strong spin polarization of the O 2p state. Our understanding of the polaronic electron transport in Li{sub 2}O{sub 2} suggests that designing alternative carrier conduction paths for the cathode reaction could significantly improve the performance of LABs at high current densities.
Implications of the formation of small polarons in Li2O2 for Li-air batteries
NASA Astrophysics Data System (ADS)
Kang, Joongoo; Jung, Yoon Seok; Wei, Su-Huai; Dillon, Anne C.
2012-01-01
Lithium-air batteries (LABs) are an intriguing next-generation technology due to their high theoretical energy density of ˜11 kWh/kg. However, LABs are hindered by both poor rate capability and significant polarization in cell voltage, primarily due to the formation of Li2O2 in the air cathode. Here, by employing hybrid density functional theory, we show that the formation of small polarons in Li2O2 limits electron transport. Consequently, the low electron mobility μ = 10-10-10-9 cm2/V s contributes to both the poor rate capability and the polarization that limit the LAB power and energy densities. The self-trapping of electrons in the small polarons arises from the molecular nature of the conduction band states of Li2O2 and the strong spin polarization of the O 2p state. Our understanding of the polaronic electron transport in Li2O2 suggests that designing alternative carrier conduction paths for the cathode reaction could significantly improve the performance of LABs at high current densities.
Circuit-QED-based superconducting quantum simulator for the Holstein-polaron model
NASA Astrophysics Data System (ADS)
Mei, Feng; Stojanović, Vladimir; Siddiqi, Irfan; Tian, Lin
2014-03-01
We propose an analog quantum simulator for the Holstein molecular-crystal model based on a superconducting circuit-QED system in the dispersive regime. The many-body Hamiltonian of this model includes both bosonic and fermionic degrees of freedom. By varying the driving field on the superconducting resonators, one can readily access both the adiabatic and anti-adiabatic regimes of this model, and reach the strong e-ph coupling limit required for small-polaron formation. We show that small-polaron state of arbitrary quasimomentum can be generated by applying a microwave pulse to the resonators. We also show that significant squeezing in the resonator modes can be achieved in the polaron-crossover regime through a measurement-based scheme. The project was supported by NSF-0956064, NSF-0916303, SNSF, NCCR QSIT, and NSF-0939514.
NASA Astrophysics Data System (ADS)
Stojanovic, Vladimir; Demler, Eugene; Vanevic, Mihajlo; Tian, Lin
2014-03-01
We propose an analog simulator for a one-dimensional model with momentum-dependent (nonlocal) electron-phonon couplings of Su-Schrieffer-Heeger and ``breathing-mode'' types. The superconducting circuit behind this simulator entails an array of transmon qubits and microwave resonators. Using a microwave-driving based protocol, small-polaron Bloch states with arbitrary quasimomentum can be prepared in this system within times several orders of magnitude shorter than the qubit decoherence time. We show that - by varying the circuit parameters - one can readily reach the critical coupling strength for observing the sharp transition from a nondegenerate single-particle ground state at zero quasimomentum (Kgs = 0) to a twofold degenerate small-polaron ground state corresponding to equal and opposite (nonzero) quasimomenta Kgs and -Kgs . Through exact diagonalization of our effective model, we show how this nonanalyticity is reflected in the relevant single-particle properties (ground-state energy, quasiparticle residue, average number of phonons). Our work paves the way for understanding the physical implications of strongly momentum-dependent electron-phonon interactions. Supported by the SNSF.
Small hole polaron in CdTe: Cd-vacancy revisited
Shepidchenko, A.; Sanyal, B.; Klintenberg, M.; Mirbt, S.
2015-01-01
The characteristics of electronic states of Cd-vacancies in CdTe, an important semiconductor for various technological applications, are under debate both from theoretical and experimental points of view. Experimentally, the Cd-vacancy in its negative charge state is found to have C3v symmetry and a (−1/−2) transition level at 0.4 eV. Our first principles density functional calculations with hybrid functionals confirm for the first time these experimental findings. Additionally, we find that the C3v symmetry and the position of the (−1/−2) transition level are caused by the formation of a hole polaron localised at an anionic site around the vacancy. PMID:26411338
NASA Astrophysics Data System (ADS)
Udal'tsov, Alexander V.
2015-11-01
Polaron theory is often used for the study of electrons and holes mobility in semiconductors when longitudinal optical (LO) phonons are generated upon the charge carriers moving. The polaron theory was applied to explain long-wavelength absorptions observed nearby Soret band in the electronic spectra of assemblies of mono-protonated meso-tetraphenylporphine dimer (TPP2H+) that are interpreted as LO-phonons originated due to proton movement. The energy of hole polaron is found to be 1.50 eV at 77 K. Energy of Franck-Condon transitions of LO-phonons generated by hole polaron moving through water confined in the assemblies with distortions of O-H bonds is 0.2653 eV (2138 cm-1). A broad band around 2127 cm-1 corresponding the same energy of O-H bonds vibrations is observed in IR spectra of the assemblies consisting of water and mainly of TPP2H+ species in the solid state indicating the presence of similar distortions of the hydrogen bonds. The radius of protonic sphere of 0.202 Å, which was estimated as a polaron quasiparticle moving through the confined water at 77 K, is found in agreement with earlier evaluated one of 0.265 Å that was obtained for proton diffusion at 298 K in similar assemblies.
NASA Astrophysics Data System (ADS)
Singh, V. P.; Sharma, M. K.
1996-01-01
Presents a method for computing the eigenfrequencies of small adiabatic oscillations of stellar models distorted by differential rotation and tidal forces. The method is based on the approach adopted by Mohan and Singh (1982) in conjunction with the averaging concept introduced by Kippenhahn and Thomas (1970). The angular velocity of rotation is assumed to be the function of the square of the distance of fluid element from the axis of rotation. Tidal distortions are assumed to be caused by a nearby point mass. Such studies have practical importance in astrophysics in determining the periods of small adiabatic oscillations of differentially rotating stars in binary systems. Comparison of results with observational data is also presented.
Silk damping at a redshift of a billion: new limit on small-scale adiabatic perturbations.
Jeong, Donghui; Pradler, Josef; Chluba, Jens; Kamionkowski, Marc
2014-08-01
We study the dissipation of small-scale adiabatic perturbations at early times when the Universe is hotter than T≃0.5 keV. When the wavelength falls below the damping scale k(D)(-1), the acoustic modes diffuse and thermalize, causing entropy production. Before neutrino decoupling, k(D) is primarily set by the neutrino shear viscosity, and we study the effect of acoustic damping on the relic neutrino number, primordial nucleosynthesis, dark-matter freeze-out, and baryogenesis. This sets a new limit on the amplitude of primordial fluctuations of Δ(R)(2)<0.007 at 10(4) Mpc(-1)≲k≲10(5) Mpc(-1) and a model-dependent limit of Δ(R)(2)≲0.3 at k≲10(20-25) Mpc(-1). PMID:25148313
Brun, J. F.; Campo, L. del; De Sousa Meneses, D.; Echegut, P.
2013-12-14
The normal spectral emittance of α-Al{sub 2}O{sub 3} single crystal has been measured from room temperature up to the liquid state and from 20 cm{sup −1} up to 10 000 cm{sup −1}, in two polarization configurations. The spectra were fitted with a semi-quantum dielectric function model. AlO{sub 4} structure units are revealed within the phonon spectral range more than a hundred degrees below the melting point when heating from the solid state. In parallel, the anomalous increase of emittance observed within the transparency spectral range with the approach to melting appears strongly correlated. Implications on the electronic structure are discussed: the existence of small polaron conduction is suggested which has never been mentioned before.
NASA Astrophysics Data System (ADS)
Patterson, C. H.
2008-03-01
We report hybrid density functional theory calculations on hole doped Ca2-xNaxCuO2Cl2 performed in 4×4 , 42×42 , and 8×2 supercells with hole concentrations x=0.0625 and x=0.125 . Holes at the lower concentration form small polarons, in which the hole is mainly localized on four oxygen ions surrounding one copper ion. The polaron is a spin one-half ferromagnetic polaron (Cu5O4) , in which the moment on the central copper ion is parallel to those on the four neighboring copper ions and the moment on the oxygen ions is opposed to that on the copper ions. This is therefore an Emery-Reiter spin polaron rather than a Zhang-Rice singlet. At the higher hole concentration (x=0.125) , many cuprates form stripes. Hybrid density functional theory calculations on linear chains of spin polarons separated by 4a0 show a group of bands localized mainly on the stripe. Spins on neighboring copper ions in the stripe are parallel and so the stripe forms a magnetic antiphase boundary between antiferromagnetically ordered blocks of copper spins. Stripes of this kind, which run in one direction only, may explain recent scanning tunneling microscopy data from Ca2-xNaxCuO2Cl2 by Kohsaka [Science 315, 1380 (2007)]. We also consider an ordered spin polaron phase where magnetic antiphase boundaries intersect at right angles. In this case, sets of four copper ions in squares at stripe intersections have parallel spins. This phase may be the 4×4 checkerboard pattern reported by Hanaguri [Nature (London) 430, 1001 (2004)].
NASA Astrophysics Data System (ADS)
Scott, Alwyn C.; Bigio, Irving J.; Johnston, Clifford T.
1989-06-01
The best available data are presented of the integrated intensity of the 1650-cm-1 band in crystalline acetanilide as a function of temperature. A concise theory of polaron states is presented and used to interpret the data.
Scott, A. C.; Bigio, I. J.; Johnston, C. T.
1989-06-15
The best available data are presented of the integrated intensity of the1650-cm/sup /minus/1/ band in crystalline acetanilide as a function oftemperature. A concise theory of polaron states is presented and used tointerpret the data.
NASA Astrophysics Data System (ADS)
Khalil, M. M. I.
2007-03-01
The effect of electric field strength on conduction in lithium borate glasses doped with CuO with different concentration was studied and the value of the jump distance of charge carrier was calculated. The conductivity measurements indicate that the conduction is due to non-adiabatic hopping of polarons and the activation energies are found to be temperature and concentration dependent. Lithium borate glasses are subjected to carefully-programmed thermal treatments which cause the nucleation and growth of crystalline phases. X-ray diffraction analysis confirmed the amorphous nature for the investigated glass sample and the formation of crystalline phase for annealed samples at 650 °C. The main separated crystalline phase is Li2B8O13. The scanning electron micrographs of some selected glasses showed a significant change in the morphology of the films investigated due to heat treatment of the glass samples. It was found that the dc-conductivity decreases with an increase of the HT temperature. The decrease of dc conductivity, with an increase of the HT temperature, can be related to the decrease in the number of free ions in the glass matrix. There is deviation from linearity at high temperature regions in the logσ-1/T plots for all investigated doped samples at a certain temperature at which the transition from polaronic to ionic conduction occurs. The hopping of small polarons is dominant at low temperatures, whereas the hopping of Li+ ions dominates at high temperatures.
NASA Astrophysics Data System (ADS)
Lany, Stephan
2010-03-01
The formation of a small polaron, i.e. of a localized (electron or hole) quasi-particle state that is stabilized by a lattice distortion, is a problem in solid state physics that has eluded a quantitative description by first principles Hamiltonians for a long time. Specifically, conventional density functional theory calculations typically predict a much too delocalized state and usually fail to correctly predict the lattice distortions of localized hole-states in semiconductors and insulators. While this problem has been studied in detail for some prototypical cases like the Al impurity in SiO2, it has at the same time precluded an extensive theoretical literature on the phenomenology of systems with localized hole states, despite the potentially dramatic effect of hole localization on such timely research topics as p-type doping of oxides or that of diluted magnetic semiconductors. Indeed, many predictions for hole-introducing defects and impurities that were based on local density approximations have led to a qualitatively wrong physical picture about the lattice distortion, the energies of the hole-bearing acceptor levels in the gap, and about ferro-magnetic interactions between defects. In order to stabilize the polaronic localized states in the gap, we define a parameterized hole- (or electron-) state potential which increases the energy splitting between occupied and unoccupied orbitals, where we further require that a fundamental physical condition is satisfied, i.e., the piecewise linearity of the energy as a function of the occupation number. This requirement takes the form of a generalized Koopmans conditions, which uniquely determines the one free parameter of the hole- (electron-) state potential. Applying this method to the anion-p orbitals within the II-VI series of ZnO, ZnS, ZnSe, and ZnTe, we demonstrate electronic correlation effects remove the partial band occupation and the metallic band-structure character that is predicted by local density
Wang, Jing Hu, Feng-xia; Zhao, Ying-ying; Liu, Yao; Wu, Rong-rong; Sun, Ji-rong; Shen, Bao-gen
2015-03-09
We investigated the epitaxial strain effect on the small-polaron hopping conduction properties in Pr{sub 0.7}(Ca,Sr){sub 0.3}MnO{sub 3} (PCSMO) films. An increase in the carrier localization, as evidenced by the enhancement of the small-polaron activation energy E{sub A} in the high temperature region, was obtained by increasing the epitaxial lattice strain in either the tensile or compressive strained film. Furthermore, it was found that the magnitude of E{sub A}, and thus the carrier localization, strongly depends on the sign of the lattice strain, which explains the diverse percolative transport behaviors in PCSMO films with different types of strains. Meanwhile, similar dependencies on the strain of the films were also obtained for the electron-phonon interaction, characterized by the calculated small-polaron coupling constant. Our results reveal that the type of lattice strain plays a crucial role in determining the degree of localization of charge carriers and the electron-phonon coupling strength, which is important for understanding the lattice strain-induced various novel properties related to phase separation and percolation behaviors.
Polaronic contributions to oxidation and hole conductivity in acceptor-doped BaZrO3
NASA Astrophysics Data System (ADS)
Lindman, Anders; Erhart, Paul; Wahnström, Göran
2016-08-01
Acceptor-doped perovskite oxides like BaZrO3 are showing great potential as materials for renewable energy technologies where hydrogen acts an energy carrier, such as solid oxide fuel cells and hydrogen separation membranes. While ionic transport in these materials has been investigated intensively, the electronic counterpart has received much less attention and further exploration in this field is required. Here, we use density functional theory (DFT) to study hole polarons and their impact on hole conductivity in Y-doped BaZrO3. Three different approaches have been used to remedy the self-interaction error of local and semilocal exchange-correlation functionals: DFT +U , pSIC-DFT, and hybrid functionals. Self-trapped holes are found to be energetically favorable by about -0.1 eV and the presence of yttrium results in further stabilization. Polaron migration is predicted to occur through intraoctahedral transfer and polaron rotational processes, which are associated with adiabatic barriers of about 0.1 eV. However, the rather small energies associated with polaron formation and migration suggest that the hole becomes delocalized and bandlike at elevated temperatures. These results together with an endothermic oxidation reaction [A. Lindman, P. Erhart, and G. Wahnström, Phys. Rev. B 91, 245114 (2015), 10.1103/PhysRevB.91.245114] yield a picture that is consistent with experimental data for the hole conductivity. The results we present here provide new insight into hole transport in acceptor-doped BaZrO3 and similar materials, which will be of value in the future development of sustainable technologies.
NASA Astrophysics Data System (ADS)
Abkari, A.; Chaabane, I.; Guidara, K.
2016-09-01
In the present work, the synthesis and characterization of the Bis(4-acetylanilinium) tetrachlorocuprate(II) compound are presented. The structure of this compound is analyzed by X-ray diffraction which confirms the formation of single phase and is in good agreement the literature. Indeed, the Thermo gravimetric Analysis (TGA) shows that the decomposition of the compound is observed in the range of 420-520 K. However, the differential thermal analysis (DTA) indicates the presence of a phase transition at T=363 k. Furthermore, the dielectric properties and AC conductivity were studied over a temperature range (338-413 K) and frequency range (200 Hz-5 MHz) using complex impedance spectroscopy. Dielectric measurements confirmed such thermal analyses by exhibiting the presence of an anomaly in the temperature range of 358-373 K. The complex impedance plots are analyzed by an electrical equivalent circuit consisting of resistance, constant phase element (CPE) and capacitance. The activation energy values of two distinct regions are obtained from log σT vs 1000/T plot and are found to be E=1.27 eV (T<363 K) and E=1.09 eV (363 K
NASA Astrophysics Data System (ADS)
Ahmed, Hilal; Khan, Shakeel; Khan, Wasi; Nongjai, Razia; Khan, Imran
2014-11-01
We have systematically investigated structural, electrical and magnetic properties of Fe doped La0.33Sr0.67MnO3 manganites synthesized through solid-state reaction-route. All the samples are found to have rhombohedral crystal structure. The crystallite sizes obtained by XRD data are much smaller than the average grain size obtained by scanning electron microscope (SEM). Temperature dependent resistivity data were fitted using Mott's variable-range hopping (VRH) and small polaron hopping (SPH) models for obtaining different parameters. The adiabatic SPH conduction mechanism is followed almost for both samples in the absence of magnetic field but a switching from adiabatic to non-adiabatic SPH conduction mechanism is found in the presence of magnetic field. Temperature dependent magnetization (M-T) measurements confirm the decrease in Curie-temperature (TC) with Fe doping. Both the samples exhibited ferromagnetic behavior at 10 K and 300 K with a small hysteresis loop and low coercivity.
Two-Dimensional Polaronic Behavior in the Binary Oxides m-HfO2 and m-ZrO2
Mckenna, Keith P.; Wolf, Matthew J.; Shluger, Alexander L.; Lany, Stephan; Zunger, Alex
2012-03-14
We demonstrate that the three-dimensional (3D) binary monoclinic oxides HfO2 and ZrO2 exhibit quasi-2D polaron localization and conductivity, which results from a small difference in the coordination of two oxygen sublattices in these materials. The transition between a 2D large polaron into a zerodimensional small polaron state requires overcoming a small energetic barrier. These results demonstrate how a small asymmetry in the lattice structure can determine the qualitative character of polaron localization and significantly broaden the realm of quasi-2D polaron systems.
Two-Dimensional Polaronic Behavior in the Binary Oxides m-HfO2 and m-ZrO2
McKenna, K. P.; Wolf, M. J.; Shluger, A. L.; Lany, S.; Zunger, A.
2012-03-16
We demonstrate that the three-dimensional (3D) binary monoclinic oxides HfO{sub 2} and ZrO{sub 2} exhibit quasi-2D polaron localization and conductivity, which results from a small difference in the coordination of two oxygen sublattices in these materials. The transition between a 2D large polaron into a zero-dimensional small polaron state requires overcoming a small energetic barrier. These results demonstrate how a small asymmetry in the lattice structure can determine the qualitative character of polaron localization and significantly broaden the realm of quasi-2D polaron systems.
NASA Astrophysics Data System (ADS)
Lal, A. K.; Pathania, Ankush; Bhalla, Alka; Mohan, C.
2009-12-01
Mohan et al (1992 Astrophys. Space. Sci. 193 69) (1998 Indian J. Pure Appl. Math. 29 199) investigated the problem of equilibrium structures and periods of small adiabatic oscillations of differentially rotating stellar models using a law of differential rotation of the type ω2 = b0 + b1s2 + b2s4 (here ω is a nondimensional measure of the angular velocity of rotation of a fluid element at a distance s from the axis of rotation and b's are suitably chosen constant parameters). This law of differential rotation assumes cylindrical symmetry for the rotating fluid elements. In the present paper, we have extended their study and used a more general law of differential rotation of the type ω2 = b0 + b1s2 + b2s4 + b3z2 + b4z4 + b5z2s2 in which the angular velocity of rotation of a fluid element is assumed to depend both on its distance s from the axis of rotation and on its distance z from the plane through the center of the star perpendicular to the axis of rotation. The main objective of this study has been to investigate whether the dependence of angular velocity of rotation on the parameter z in addition to the parameter s substantially alters the behavior of the eigenfrequencies of small adiabatic barotropic modes of oscillations of differentially rotating stars or not.
Extreme electron polaron spatial delocalization in π-conjugated materials
Rawson, Jeff; Angiolillo, Paul J.; Therien, Michael J.
2015-01-01
The electron polaron, a spin-1/2 excitation, is the fundamental negative charge carrier in π-conjugated organic materials. Large polaron spatial dimensions result from weak electron-lattice coupling and thus identify materials with unusually low barriers for the charge transfer reactions that are central to electronic device applications. Here we demonstrate electron polarons in π-conjugated multiporphyrin arrays that feature vast areal delocalization. This finding is evidenced by concurrent optical and electron spin resonance measurements, coupled with electronic structure calculations that suggest atypically small reorganization energies for one-electron reduction of these materials. Because the electron polaron dimension can be linked to key performance metrics in organic photovoltaics, light-emitting diodes, and a host of other devices, these findings identify conjugated materials with exceptional optical, electronic, and spintronic properties. PMID:26512097
Spontaneous polaron transport in biopolymers
NASA Astrophysics Data System (ADS)
Chakrabarti, B.; Piette, B. M. A. G.; Zakrzewski, W. J.
2012-02-01
Polarons, introduced by Davydov to explain energy transport in α-helices, correspond to electrons localised on a few lattice sites because of their interaction with phonons. While the static polaron field configurations have been extensively studied, their displacement is more difficult to explain. In this paper we show that, when the next-to-nearest-neighbour interactions are included, for physical values of the parameters, polarons can spontaneously move, at T=0, on bent chains that exhibit a positive gradient in their curvature. At room temperature polarons perform a random walk but a curvature gradient can induce a non-zero average speed similar to the one observed at zero temperature. We also show that, at zero temperature, a polaron bounces on sharply kinked junctions. We interpret these results in the light of the energy transport by transmembrane proteins.
Feller, David
2016-01-01
Benchmark quality adiabatic electron affinities for a collection of atoms and small molecules were obtained with the Feller-Peterson-Dixon composite coupled cluster theory method. Prior applications of this method demonstrated its ability to accurately predict atomization energies/heats of formation for more than 170 molecules. In the current work, the 1-particle expansion involved very large correlation consistent basis sets, ranging up to aug-cc-pV9Z (aug-cc-pV10Z for H and H2), with the goal of minimizing the residual basis set truncation error that must otherwise be approximated with extrapolation formulas. The n-particle expansion begins with coupled cluster calculations through iterative single and double excitations plus a quasiperturbative treatment of "connected" triple excitations (CCSD(T)) pushed to the complete basis set limit followed by CCSDT, CCSDTQ, or CCSDTQ5 corrections. Due to the small size of the systems examined here, it was possible in many cases to extend the n-particle expansion to the full configuration interaction wave function limit. Additional, smaller corrections associated with core/valence correlation, scalar relativity, anharmonic zero point vibrational energies, and non-adiabatic effects were also included. The overall root mean square (RMS) deviation was 0.005 eV (0.12 kcal/mol). This level of agreement was comparable to what was found with molecular heats of formation. A 95% confidence level corresponds to roughly twice the RMS value or 0.01 eV. While the atomic electron affinities are known experimentally to high accuracy, the molecular values are less certain. This contributes to the difficulty of gauging the accuracy of the theoretical results. A limited number of electron affinities were determined with the explicitly correlated CCSD(T)-F12b method. After extending the VnZ-F12 orbital basis sets with additional diffuse functions, the F12b method was found to accurately reproduce the best F/F(-) value obtained with standard
NASA Astrophysics Data System (ADS)
Feller, David
2016-01-01
Benchmark quality adiabatic electron affinities for a collection of atoms and small molecules were obtained with the Feller-Peterson-Dixon composite coupled cluster theory method. Prior applications of this method demonstrated its ability to accurately predict atomization energies/heats of formation for more than 170 molecules. In the current work, the 1-particle expansion involved very large correlation consistent basis sets, ranging up to aug-cc-pV9Z (aug-cc-pV10Z for H and H2), with the goal of minimizing the residual basis set truncation error that must otherwise be approximated with extrapolation formulas. The n-particle expansion begins with coupled cluster calculations through iterative single and double excitations plus a quasiperturbative treatment of "connected" triple excitations (CCSD(T)) pushed to the complete basis set limit followed by CCSDT, CCSDTQ, or CCSDTQ5 corrections. Due to the small size of the systems examined here, it was possible in many cases to extend the n-particle expansion to the full configuration interaction wave function limit. Additional, smaller corrections associated with core/valence correlation, scalar relativity, anharmonic zero point vibrational energies, and non-adiabatic effects were also included. The overall root mean square (RMS) deviation was 0.005 eV (0.12 kcal/mol). This level of agreement was comparable to what was found with molecular heats of formation. A 95% confidence level corresponds to roughly twice the RMS value or 0.01 eV. While the atomic electron affinities are known experimentally to high accuracy, the molecular values are less certain. This contributes to the difficulty of gauging the accuracy of the theoretical results. A limited number of electron affinities were determined with the explicitly correlated CCSD(T)-F12b method. After extending the VnZ-F12 orbital basis sets with additional diffuse functions, the F12b method was found to accurately reproduce the best F/F- value obtained with standard
Effective Masses of Vector Polarons
NASA Astrophysics Data System (ADS)
Foell, Charles; Clougherty, Dennis
2006-03-01
We consider the vector polarons of a one-dimensional model of an electron in a doubly (or nearly) degenerate band that couples to two elastic distortions, as described previously by Clougherty and Foell [1]. A variational approach is used to analytically and numerically calculate effective masses of the three types of vector polarons. [1] D. P. Clougherty and C. A. Foell, Phys. Rev. B 70, 052301 (2004).
Monotonicity of the Polaron Energy
NASA Astrophysics Data System (ADS)
Miyao, Tadahiro
2014-12-01
In condensed matter physics, the polaron is described by the Hamiltonian of H. Fröhlich. In this paper, the Fröhlich Hamiltonian is investigated from a viewpoint of operator inequalities proposed in [36]. This point of view clarifies the monotonicity of polaron energy, i.e. denoting the lowest energy of the Fröhlich Hamiltonian with the ultraviolet cutoff Λ by EΛ, we prove that EΛ, >EΛ‧ for Λ < Λ‧.
Bound polarons in semiconductor nanostructures
NASA Astrophysics Data System (ADS)
Woggon, U.; Miller, D.; Kalina, F.; Gerlach, B.; Kayser, D.; Leonardi, K.; Hommel, D.
2003-01-01
Bound polarons are discrete, confined electronic states, spatially localized due to a local potential V(r) but sharing a common phonon state of the surrounding crystal. We study the energy states of polarons bound in a potential and determine the local optical absorption spectrum up to first-order time-dependent perturbation theory with respect to the electron-photon interaction. The model is applied to describe the optical properties of submonolayer CdSe insertions epitaxially grown between ZnSe layers. As a typical signature of bound polarons we found excited-state energies equidistantly separated by the LO phonon energy and with optical transition probabilities determined by the anisotropies in V(r).
Some approaches to polaron theory
NASA Astrophysics Data System (ADS)
Bogolubov, N. N.; Bogolubov, N. N.
1985-11-01
Here, in our approximation of polaron theory, we examine the importance of introducing the T product, which turn out to be a very convenient theoretical approach for the calculation of thermodynamical averages. We focus attention on the investigation of the so-called linear polaron Hamiltonian and present in detail the calculation of the correlation function, spectral function, and Green function for such a linear system. It is shown that the linear polaron Hamiltonian provides an exactly solvable model of our system, and the result obtained with this approach holds true for an arbitrary coupling constant which describes the strength of interaction between the electron and the lattice vibrations. Then, with the help of a variational technique, we show the possibility of reducing the real polaron Hamiltonian to a socalled trial or approximate linear model Hamiltonian. We also consider the exact calculation of free energy with a special technique that reduces calculations with the help of the T product, which, in our opinion, works much better and is easier than other analogous considerations, for example, the path-integral or Feynman-integral method.(1,2) Here we furthermore recall our own work,(4) where it was shown that the results of Refs. 7 and 8 concerning the impedance calculation in the polaron model may be obtained directly without the use of the path-integral method. The study of the polaron system's thermodynamics is carried out by us in the framework of the functional method. A calculation of the free energy and the momentum distribution function is proposed. Note also that the polaron systems with strong coupling(9) proved to be useful in different quantum field models in connection with the construction of dynamical models of composite particles. A rigorous solution of the special strong-coupling polaron problem, describing the interaction of a nonrelativistic particle with a quantum field, was given by Bogolubov.(3) The works of Tavkhelidze, Fedyanin
Bloch oscillations of bosonic lattice polarons
NASA Astrophysics Data System (ADS)
Grusdt, F.; Shashi, A.; Abanin, D.; Demler, E.
2014-12-01
We consider a single-impurity atom confined to an optical lattice and immersed in a homogeneous Bose-Einstein condensate (BEC). Interaction of the impurity with the phonon modes of the BEC leads to the formation of a stable quasiparticle, the polaron. We use a variational mean-field approach to study dispersion renormalization and derive equations describing nonequilibrium dynamics of polarons by projecting equations of motion into mean-field-type wave functions. As a concrete example, we apply our method to study dynamics of impurity atoms in response to a suddenly applied force and explore the interplay of coherent Bloch oscillations and incoherent drift. We obtain a nonlinear dependence of the drift velocity on the applied force, including a sub-Ohmic dependence for small forces for dimensionality d >1 of the BEC. For the case of heavy impurity atoms, we derive a closed analytical expression for the drift velocity. Our results show considerable differences with the commonly used phenomenological Esaki-Tsu model.
Vector polarons in a degenerate electron system
NASA Astrophysics Data System (ADS)
Clougherty, Dennis P.; Foell, Charles A.
2004-08-01
We consider a one-dimensional model of an electron in a doubly (or nearly) degenerate band that interacts with elastic distortions. We show that the electron equations of motion reduce to a set of coupled nonlinear Schrödinger equations. For the case of interband electron-phonon coupling stemming from local Jahn-Teller interactions, multicomponent self-localized polaron solutions-vector polarons- are described and classified. The phase diagram for the different types of vector polarons in this model is presented. By interpreting the components of the orbital doublet as those of spin- (1)/(2) , our results can also be used to describe bound magnetic polarons.
Polaronic trapping in magnetic semiconductors
NASA Astrophysics Data System (ADS)
Raebiger, Hannes
2012-02-01
GaN doped with iron is an interesting candidate material for magnetic semiconductors, as p-d coupling between the localized Fe-d and extended N-p hole states is expected to facilitate long-range ferromagnetic alignment of the Fe spins [1]. This picture of extended states in GaN:Fe, however, falls apart due to a polaronic localization of the hole carriers nearby the Fe impurities. To elucidate the carrier localization in GaN:Fe and related iron doped III-V semiconductors, I present a systematic study using self-interaction corrected density-functional calculations [2]. These calculations predict three distinct scenarios. (i) Some systems do sustain extended host-like hole states, (ii) some exhibit polaronic trapping, (iii) and some exhibit carrier trapping at Fe-d orbitals. These behaviors are described in detail to give an insight as to how to distinguish them experimentally. I thank T. Fujita, C. Echeverria-Arrondo, and A. Ayuela for their collaboration.[4pt] [1] T. Dietl et al, Science, 287, 1019 (2000).[0pt] [2] S. Lany and A. Zunger, Phys. Rev. B, 80, 085202 (2009).
Bose Polarons in the Strongly Interacting Regime.
Hu, Ming-Guang; Van de Graaff, Michael J; Kedar, Dhruv; Corson, John P; Cornell, Eric A; Jin, Deborah S
2016-07-29
When an impurity is immersed in a Bose-Einstein condensate, impurity-boson interactions are expected to dress the impurity into a quasiparticle, the Bose polaron. We superimpose an ultracold atomic gas of ^{87}Rb with a much lower density gas of fermionic ^{40}K impurities. Through the use of a Feshbach resonance and radio-frequency spectroscopy, we characterize the energy, spectral width, and lifetime of the resultant polaron on both the attractive and the repulsive branches in the strongly interacting regime. The width of the polaron in the attractive branch is narrow compared to its binding energy, even as the two-body scattering length diverges. PMID:27517776
Bose Polarons in the Strongly Interacting Regime
NASA Astrophysics Data System (ADS)
Hu, Ming-Guang; Van de Graaff, Michael J.; Kedar, Dhruv; Corson, John P.; Cornell, Eric A.; Jin, Deborah S.
2016-07-01
When an impurity is immersed in a Bose-Einstein condensate, impurity-boson interactions are expected to dress the impurity into a quasiparticle, the Bose polaron. We superimpose an ultracold atomic gas of 87Rb with a much lower density gas of fermionic 40 impurities. Through the use of a Feshbach resonance and radio-frequency spectroscopy, we characterize the energy, spectral width, and lifetime of the resultant polaron on both the attractive and the repulsive branches in the strongly interacting regime. The width of the polaron in the attractive branch is narrow compared to its binding energy, even as the two-body scattering length diverges.
Dangling Bond Magnetic Polaron in CdSe nanocrystals
NASA Astrophysics Data System (ADS)
Efros, Alexander; Rodina, Anna
In this work we study theoretically the effect of the spins of the surface dangling bonds on the PL of CdSe nanocrystals (NCs). We show that spins of dangling bonds open new recombination channels for the dark exciton recombination which is connected with flip-flip and flip-flop spin-assisted recombination of the dark exciton. Calculations show that at low temperatures the interaction between dangling bonds and NC excitons leads to the dynamical polarization of the dangling bond spins along the anisotropic axis following by the formation of a dangling bond magnetic polaron. An increase of the temperature, or of the external magnetic field perpendicular to the anisotropic axis, destroys the polaron state. This results in a shift of the transition energy and an increase of its recombination rate. Thus thermal depolarization of the polaron state may explain the small activation energies observed in the temperature dependences of the exciton lifetimes in CdSe NCs. The exchange interaction of the electron spin with spins of the surface dangling bonds explains also radiative recombination of the dark excitons in nanowires, nanorods and nanoplatelets.
Topological phases and polaron physics in ultracold quantum gases
NASA Astrophysics Data System (ADS)
Grusdt, Fabian
2016-05-01
The description of quantum many-body systems poses a formidable theoretical challenge. A seemingly simple problem is the coupling of a single impurity atom to non-interacting Bogoliubov phonons in a surrounding Bose-Einstein condensate. The system can be described by a polaron model at intermediate couplings - an 80 year problem. The situation has been realized experimentally, but when the impurity mass is small compared to the Boson mass, neither mean-field nor strong-coupling expansions are valid anymore. Now the impurity acts as an exchange particle, mediating phonon-phonon interactions. In this talk I present a semi-analytical solution to the polaron problem. I will show that the approach can be generalized to solve far-from equilibrium polaron problems, too, and elaborate on connections with recent experiments involving ultracold atoms and photons. A completely different class of many-body problems are systems with topological order. In recent years we have seen an uprise of cold-atomic or photonic implementations of artificial gauge fields, providing a corner stone for the realization of topological phases of matter. In the second part of my talk, I will address the challenging problem how non-local topological orders can be detected. It will be demonstrated that many-body topological invariants can be measured, making use of mobile impurities as coherent probes of the highly entangled groundstates. I will discuss Laughlin states and comment on possible realizations using ultracold atoms.
Importance of Polaronic Effects for Charge Transport in CdSe Quantum Dot Solids.
Prodanović, Nikola; Vukmirović, Nenad; Ikonić, Zoran; Harrison, Paul; Indjin, Dragan
2014-04-17
We developed an accurate model accounting for electron-phonon interaction in colloidal quantum dot supercrystals that allowed us to identify the nature of charge carriers and the electrical transport regime. We find that in experimentally analyzed CdSe nanocrystal solids, the electron-phonon interaction is sufficiently strong that small polarons localized to single dots are formed. Charge-carrier transport occurs by small polaron hopping between the dots, with mobility that decreases with increasing temperature. While such a temperature dependence of mobility is usually considered as a proof of band transport, we show that the same type of dependence occurs in the system where transport is dominated by small polaron hopping. PMID:26269977
Bose polarons in the strongly interacting regime
NASA Astrophysics Data System (ADS)
Kedar, Dhruv; Hu, Ming-Guang; van de Graaff, Michael; Corson, John; Cornell, Eric; Jin, Deborah
2016-05-01
Impurities immersed in and interacting with a Bose-Einstein condensate (BEC) are predicted to form quasiparticle excitations called Bose polarons. I will present experimental evidence of Bose polarons in cold atoms obtained using radio-frequency spectroscopy to measure the excitation spectrum of fermionic K-40 impurities interacting with a BEC of Rb-87 atoms. We use an interspecies Feshbach resonance to tune the interactions between the impurities and the bosons, and we take data in the strongly interacting regime.
Giant Optical Polarization Rotation Induced by Spin-Orbit Coupling in Polarons
NASA Astrophysics Data System (ADS)
Casals, Blai; Cichelero, Rafael; García Fernández, Pablo; Junquera, Javier; Pesquera, David; Campoy-Quiles, Mariano; Infante, Ingrid C.; Sánchez, Florencio; Fontcuberta, Josep; Herranz, Gervasi
2016-07-01
We have uncovered a giant gyrotropic magneto-optical response for doped ferromagnetic manganite La2 /3Ca1 /3MnO3 around the near room-temperature paramagnetic-to-ferromagnetic transition. At odds with current wisdom, where this response is usually assumed to be fundamentally fixed by the electronic band structure, we point to the presence of small polarons as the driving force for this unexpected phenomenon. We explain the observed properties by the intricate interplay of mobility, Jahn-Teller effect, and spin-orbit coupling of small polarons. As magnetic polarons are ubiquitously inherent to many strongly correlated systems, our results provide an original, general pathway towards the generation of magnetic-responsive gigantic gyrotropic responses that may open novel avenues for magnetoelectric coupling beyond the conventional modulation of magnetization.
The Holstein polaron problem revisited
NASA Astrophysics Data System (ADS)
Tayebi, Amin; Zelevinsky, Vladimir
2016-06-01
The Holstein Hamiltonian was proposed half a century ago; since then, decades of research have come up empty handed in the pursuit of a closed-form solution. An exact solution to the two-site Holstein model is presented in this paper. The obtained results provide a clear image of the Hamiltonian structure and allow for the investigation of the symmetry, energy level crossings and polaronic characteristics of the system. The main mathematical tool is a three-term recurrence relation between the wave function amplitudes, which was obtained using the properties of a family of orthogonal functions, namely the Poisson–Charlier polynomials. It is shown that, with the appropriate choice of basis, the eigenfunctions of the problem naturally fall into two families (parities) associated with the discrete {{{Z}}}2 symmetry of the Hamiltonian. The asymptotic solution to the recurrence relation is found by using the Birkhoff expansion. The asymptotic sets the truncation criterion for the wave function, which ensures the accurate calculation of the energy levels for any strength of electron–phonon interaction. The level crossing of states with different parities is discussed and the exact points of broken symmetry are found analytically. The results are used as the building blocks for studying a four-site system. The inherited symmetries lead to the formation of a sparse matrix that is convenient for numerical calculations.
Polaron Properties in Armchair Graphene Nanoribbons.
da Cunha, Wiliam F; Acioli, Paulo H; de Oliveira Neto, Pedro H; Gargano, Ricardo; E Silva, Geraldo M
2016-07-14
By means of a 2-D tight-binding model with lattice relaxation in a first-order expansion, we report different polaron properties depending on the armchair graphene nanoribbons width family as well as on its size. We find that representatives of the 3p+2 family do not present a polaronic-mediated charge transport. As for 3p and 3p+1 families, the polaron behavior was completely dependent on the system's width. In particular, we observed a greater degree of delocalization for broader nanoribbons; narrower nanoribbons of both families, on the contrary, typically presented a more localized polaronic-type transport. Energy levels and occupation numbers analysis are performed to rigorously assess the nature of the charge carrier. Time evolution in the scope of the Ehrenfest molecular dynamics was also carried out to confirm the collective behavior and stability of the carrier as a function of time. We were able to determine that polarons in nanoribbons of 3p family present higher mobility than those in 3p+1 nanoribbons. These results identify the transport process that takes place for each system, and they allow the prediction of the mobility of the charge carriers as a function of the structural properties of the system, thus providing guidance on how to improve the efficiency of graphene nanoribbon-based devices. PMID:26918483
Mobility of Holstein Polaron at Finite Temperature: An Unbiased Approach
NASA Astrophysics Data System (ADS)
Mishchenko, A. S.; Nagaosa, N.; De Filippis, G.; de Candia, A.; Cataudella, V.
2015-04-01
We present the first unbiased results for the mobility μ of a one-dimensional Holstein polaron obtained by numerical analytic continuation combined with diagrammatic and worldline Monte Carlo methods in the thermodynamic limit. We have identified for the first time several distinct regimes in the λ -T plane including a band conduction region, incoherent metallic region, an activated hopping region, and a high-temperature saturation region. We observe that although mobilities and mean free paths at different values of λ differ by many orders of magnitude at small temperatures, their values at T larger than the bandwidth become very close to each other.
Impurities in Bose-Einstein Condensates: From Polaron to Soliton.
Shadkhoo, Shahriar; Bruinsma, Robijn
2015-09-25
We propose that impurities in a Bose-Einstein condensate which is coupled to a transversely laser-pumped multimode cavity form an experimentally accessible and analytically tractable model system for the study of impurities solvated in correlated liquids and the breakdown of linear-response theory [corrected]. As the strength of the coupling constant between the impurity and the Bose-Einstein condensate is increased, which is possible through Feshbach resonance methods, the impurity passes from a large to a small polaron state, and then to an impurity-soliton state. This last transition marks the breakdown of linear-response theory. PMID:26451565
Polaronic pinning of vortex in magnetic superconductors and magnetic-superconducting multilayers
NASA Astrophysics Data System (ADS)
Lin, Shi-Zeng; Bulaevskii, Lev
2013-03-01
We present a new type of vortex pinning by enhancing the viscosity of vortex in magnetic superconductors with long relaxation time of magnetization and large magnetic susceptibility. In the absence of current, vortices are dressed by nonuniform magnetic polarization and form vortex-polarons. Under a small current and consequently low Lorentz force, the magnetic polarization follows the vortex motion. However, at long magnetic relaxation time of magnetization, there is additional dragging force by the magnetization besides the Bardeen-Stephen one, thus the effective viscosity of vortex is significantly enhanced resulting in suppression of dissipation. For a large current, the magnetic polarization cannot follow the vortex motion and the vortex-polaron dissociates, i.e. the magnetization and vortex become decoupled. In the IV characteristic, the decoupling transition shows as a voltage jump and can be identified as a depinning transition. The polaronic pinning mechanism successfully explains the observed enhancement of critical current in the ErNiBC superconductor at low temperatures. The polaronic pinning can be optimized in magnetic-superconducting multilayers. We show also that vortex-polaron creep is suppressed at low temperatures. This publication was made possible by funding from the Los Alamos Laboratory Directed Research and Development Program, project number 20110138ER.
Optical studies of magnons, excitons and polarons in CuO{sub 2}-layer compounds
Kastner, M.A.; Birgeneau, R.J.
1996-12-31
The optical properties of undoped and lightly doped lamellar copper oxides are reviewed. In the undoped materials the absorption below the charge-transfer gap is dominated by magnetic and crystal field excitations of the CuO{sub 2} layers. The temperature dependence of the charge-transfer absorption provides evidence that free charged excitations form large polarons. However, the optical ionization energy of holes bound to acceptors is much larger than the thermal ionization energy, indicating that the bound polarons are small. The parameters extracted from optical measurements predict the Hall mobility of holes in lightly doped La{sub 2}CuO{sub 4}, with no adjustable parameters, confirming that the carriers are polarons.
Polarons and solitons in Jahn Teller systems
NASA Astrophysics Data System (ADS)
Clougherty, Dennis P.
2007-07-01
Using a semiclassical continuum model of an electron in a deformable molecular crystal, some properties of multicomponent generalizations of the polaron - "vector polarons" - are elucidated. Analytical solutions for the case of two electronic bands coupled to two vibrational modes are given in detail. Within the model considered, the vector polaron can be classified by its wavefunction into several types and can have features that include: (1) a spatial variation in the electronic and vibrational character, and (2) low-energy internal degrees of freedom. For the case of electronic and vibrational degeneracy, local Jahn-Teller interactions can also lead to a novel spatiotemporal soliton, a long-lived excited state of the many-electron system stabilized by the conservation law resulting from degeneracy.
Bose polarons in the strongly interacting regime
NASA Astrophysics Data System (ADS)
Hu, Ming-Guang; van de Graaff, Michael; Kedar, Dhruv; Cornell, Eric; Jin, Deborah
Impurities immersed in and interacting with a Bose-Einstein condensate (BEC) are predicted to form quasiparticle excitations called Bose polarons. I will present experimental evidence of Bose polarons in cold atoms obtained using radio-frequency spectroscopy to measure the excitation spectrum of fermionic 40K impurities interacting with a BEC of 87Rb atoms. We use an interspecies Feshbach resonance to tune the interactions between the impurities and the bosons, and we take data in the strongly interacting regime. This work is supported by NSF, NASA and NIST.
Chiral plaquette polaron theory of cuprate superconductivity
NASA Astrophysics Data System (ADS)
Tahir-Kheli, Jamil; Goddard, William A., III
2007-07-01
Ab initio density functional calculations on explicitly doped La2-xSrxCuO4 find that doping creates localized holes in out-of-plane orbitals. A model for cuprate superconductivity is developed based on the assumption that doping leads to the formation of holes on a four-site Cu plaquette composed of the out-of-plane A1 orbitals apical Opz , planar Cud3z2-r2 , and planar Opσ . This is in contrast to the assumption of hole doping into planar Cudx2-y2 and Opσ orbitals as in the t-J model. Allowing these holes to interact with the d9 spin background leads to chiral polarons with either a clockwise or anticlockwise charge current. When the polaron plaquettes percolate through the crystal at x≈0.05 for La2-xSrxCuO4 , a Cudx2-y2 and planar Opσ band is formed. The computed percolation doping of x≈0.05 equals the observed transition to the “metallic” and superconducting phase for La2-xSrxCuO4 . Spin exchange Coulomb repulsion with chiral polarons leads to d -wave superconducting pairing. The equivalent of the Debye energy in phonon superconductivity is the maximum energy separation between a chiral polaron and its time-reversed partner. This energy separation is on the order of the antiferromagnetic spin coupling energy, Jdd˜0.1eV , suggesting a higher critical temperature. An additive skew-scattering contribution to the Hall effect is induced by chiral polarons and leads to a temperature dependent Hall effect that fits the measured values for La2-xSrxCuO4 . The integrated imaginary susceptibility, observed by neutron spin scattering, satisfies ω/T scaling due to chirality and spin-flip scattering of polarons along with a uniform distribution of polaron energy splittings. The derived functional form is compatible with experiments. The static spin structure factor for chiral spin coupling of the polarons to the undoped antiferromagnetic Cud9 spins is computed for classical spins on large two-dimensional lattices and is found to be incommensurate with a
Interferometric measurement of many-body topological invariants using polarons
NASA Astrophysics Data System (ADS)
Grusdt, Fabian; Yao, Norman; Abanin, Dmitry; Demler, Eugene
2014-05-01
We present a scheme for the direct detection of many-body topological invariants in ultra cold quantum gases in optical lattices. We generalize single-particle interferometric schemes developed for the detection of topologically non-trivial band structures [Atala et al., Nature Physics 9, 795 (2013)] by coupling a spin-1/2 impurity to a (topological) excitation of an interacting many-body system. Performing Ramsey interferometry in combination with Bloch oscillations of the resulting polaronic particle allows to directly detect the many body-topological invariant. In particular we consider adiabatic Thouless pumps in the super-lattice Bose-Hubbard model, which transport a quantized amount of particles across a one-dimensional lattice. In the presence of inter-atomic interactions this quantized current is given by a many-body Chern number, which can be measured using our protocol. These systems also support symmetry-protected topological phases, the invariants of which can be obtained from our protocol as well.
Quantum vibrational polarons: Crystalline acetanilide revisited
NASA Astrophysics Data System (ADS)
Hamm, Peter; Edler, Julian
2006-03-01
We discuss a refined theoretical description of the peculiar spectroscopy of crystalline acetanilide (ACN). Acetanilide is a molecular crystal with quasi-one-dimensional chains of hydrogen-bonded units, which is often regarded as a model system for the vibrational spectroscopy of proteins. In linear spectroscopy, the CO stretching (amide I) band of ACN features a double-peak structure, the lower of which shows a pronounced temperature dependence which has been discussed in the context of polaron theory. In nonlinear spectroscopy, both of these peaks respond distinctly differently. The lower-frequency band exhibits the anharmonicity expected from polaron theory, while the higher-frequency band responds as if it were quasiharmonic. We have recently related the response of the higher-frequency band to that of a free exciton [J. Edler and P. Hamm, J. Chem. Phys. 117, 2415 (2002)]. However, as discussed in the present paper, the free exciton is not an eigenstate of the full quantum version of the Holstein polaron Hamiltonian, which is commonly used to describe these phenomena. In order to resolve this issue, we present a numerically exact solution of the Holstein polaron Hamiltonian in one dimension (1D) and 3D. In 1D, we find that the commonly used displaced oscillator picture remains qualitatively correct, even for relatively large exciton coupling. However, the result is not in agreement with the experiment, as it fails to explain the free-exciton band. In contrast, when taking into account the 3D nature of crystalline acetanilide, certain parameter regimes exist where the displaced oscillator picture breaks down and states appear in the spectrum that indeed exhibit the characteristics of a free exciton. The appearance of these states is a speciality of vibrational polarons, whose source of exciton coupling is transition dipole coupling which is expected to have opposite signs of interchain and intrachain coupling.
Spin-polaron theory of high-{Tc} superconductivity: I, spin polarons and high-{Tc} pairing
Wood, R.F.
1993-06-01
The concept of a spin polaron is introduced and contrasted with the more familiar ionic polaron picture. A brief review of aspects of ionic bipolaronic superconductivity is given with particular emphasis on the real-space pairing and true Bose condensation characteristics. The formation energy of spin polarons is then calculated in analogy with ionic polarons. The spin-flip energy of a Cu spin in an antiferromagnetically aligned CuO{sub 2} plane is discussed. It is shown that the introduction of holes into the CuO{sub 2} planes will always lead to the destruction of long-range AF ordering due to the formation of spin polarons. The pairing of two spin polarons can be expected because of the reestablishment of local (short-range) AF ordering; the magnitude of the pairing energy is estimated using a simplified model. The paper closes with a brief discussion of the formal theory of spin polarons.
Edwards polaron formation : From one to three dimensions
NASA Astrophysics Data System (ADS)
Chakraborty, M.; Mohanta, N.; Taraphder, A.; Min, B. I.; Fehske, H.
2016-04-01
Employing a self-consistent (optimized) variational diagonalization scheme, we investigate the formation of polaronic quasiparticles in a spinless fermion-boson transport model that couples the movement of charge carriers to fluctuations and correlations of a background medium. The background is parameterized by bosonic degrees of freedom. The variational fermion-boson Hilbert space is constructed to achieve high accuracy in one to three spatial dimensions with modest computational requirements. To characterize the ground-state properties of the Edwards model in the single-particle sector, we present exact numerical results for the polaron band dispersion, quasiparticle weight, Drude weight, mass enhancement, and the particle-boson correlations in a wide parameter regime. In the Edwards model, transport will be quasifree, diffusive or boson-assisted in the weakly fermion-boson coupled, fluctuation-dominated or strongly correlated regimes, respectively. Thereby correlated transport is not only assisted but also limited by the bosonic excitations. As a result, the Drude weight remains finite even in the limit of very small boson frequencies. For a strongly correlated background, closed loops are important, in any dimension, to generate a finite effective particle mass even when the free fermion has an infinite mass.
Band or Polaron: The Hole Conduction Mechanism in the p-Type Spinel Rh 2ZnO4
Nagaraja, A. R.; Perry, N. H.; Mason, T. O.; Tang, Y.; Grayson, M.; Paudel, T. R.; Lany, S.; Zunger, A.
2012-01-01
Given the emerging role of oxide spinels as hole conductors, we discuss in this article the traditional vs. new methodologies of determining the type of conduction mechanism at play - localized polaronic vs. band-like transport. Applying (i) traditional small polaron analysis to our in-situ high temperature four-point conductivity and thermopower measurements, we previously found an activated mobility, which is indicative of the small polaron mechanism. However, (ii) employing the recent developments in correcting density functional methodologies for hole localization, we predict that the self-trapped hole is unstable and that Rh{sub 2}ZnO{sub 4} is instead a band conductor with a large effective mass. The hole mobility measured by high-field room temperature Hall effect also suggests band rather than polaron conduction. The apparent contradiction between the conclusion of the traditional procedure (i) and first-principles theory (ii) is resolved by taking into account in the previous transport analysis the temperature dependence of the effective density of states, which leads to the result that the mobility is actually temperature-independent in Rh{sub 2}ZnO{sub 4}. Our case study on Rh{sub 2}ZnO{sub 4} illustrates the range of experimental and theoretical approaches at hand to determine whether the transport mechanism of a semiconductor is band or small polaron conduction.
Band or polaron: The hole conduction mechanism in the p-type spinel Rh2ZnO4
Nagaraja, Arpun R.; Perry, Nicola H.; Mason, Thomas O.; Tang, Yang; Grayson, Matthew; Paudel, Tula; Lany, Stephan; Zunger, Alex
2011-08-05
Given the emerging role of oxide spinels as hole conductors, we discuss in this article the traditional vs. new methodologies of determining the type of conduction mechanism at play––localized polaronic vs. band-like transport. Applying (i) traditional small polaron analysis to our in-situ high temperature four-point conductivity and thermopower measurements, we previously found an activated mobility, which is indicative of the small polaron mechanism. However, (ii) employing the recent developments in correcting density functional methodologies for hole localization, we predict that the self-trapped hole is unstable and that Rh₂ZnO₄ is instead a band conductor with a large effective mass. The hole mobility measured by high-field room temperature Hall effect also suggests band rather than polaron conduction. The apparent contradiction between the conclusion of the traditional procedure (i) and first-principles theory (ii) is resolved by taking into account in the previous transport analysis the temperature dependence of the effective density of states, which leads to the result that the mobility is actually temperature-independent in Rh₂ZnO₄. Our case study on Rh₂ZnO₄ illustrates the range of experimental and theoretical approaches at hand to determine whether the transport mechanism of a semiconductor is band or small polaron conduction.
Wireless adiabatic power transfer
Rangelov, A.A.; Suchowski, H.; Silberberg, Y.; Vitanov, N.V.
2011-03-15
Research Highlights: > Efficient and robust mid-range wireless energy transfer between two coils. > The adiabatic energy transfer is analogous to adiabatic passage in quantum optics. > Wireless energy transfer is insensitive to any resonant constraints. > Wireless energy transfer is insensitive to noise in the neighborhood of the coils. - Abstract: We propose a technique for efficient mid-range wireless power transfer between two coils, by adapting the process of adiabatic passage for a coherently driven two-state quantum system to the realm of wireless energy transfer. The proposed technique is shown to be robust to noise, resonant constraints, and other interferences that exist in the neighborhood of the coils.
Bose polarons: Dynamical decay and RF signatures
NASA Astrophysics Data System (ADS)
Corson, John; Bohn, John
2016-05-01
Interactions of a single impurity with a quantum many-body environment are known to alter the character of the impurity, thereby forming a ``quasiparticle''. The condensed matter tradition often identifies quasiparticles as poles of a Green function in the complex plane, a notion whose sophistication sometimes obscures the underlying physics. The problem of a single quantum impurity in a Bose condensate, or Bose polaron, is an illustrative example where the meaning of the impurity Green function, and hence the quasiparticle itself, becomes especially transparent. Using direct diagonalization in a truncated Hilbert space, we examine the dynamical evolution and quasiparticle decay of the repulsive Bose polaron. This approach also allows us to simulate RF spectroscopy across a Feshbach resonance and outside the linear regime, as well as account for motional and thermal effects in a harmonic trap.
Adiabatically driven Brownian pumps.
Rozenbaum, Viktor M; Makhnovskii, Yurii A; Shapochkina, Irina V; Sheu, Sheh-Yi; Yang, Dah-Yen; Lin, Sheng Hsien
2013-07-01
We investigate a Brownian pump which, being powered by a flashing ratchet mechanism, produces net particle transport through a membrane. The extension of the Parrondo's approach developed for reversible Brownian motors [Parrondo, Phys. Rev. E 57, 7297 (1998)] to adiabatically driven pumps is given. We demonstrate that the pumping mechanism becomes especially efficient when the time variation of the potential occurs adiabatically fast or adiabatically slow, in perfect analogy with adiabatically driven Brownian motors which exhibit high efficiency [Rozenbaum et al., Phys. Rev. E 85, 041116 (2012)]. At the same time, the efficiency of the pumping mechanism is shown to be less than that of Brownian motors due to fluctuations of the number of particles in the membrane. PMID:23944411
Modeling of magnetic polaron properties in (Zn,Mn)Te quantum dots
NASA Astrophysics Data System (ADS)
Pientka, James; Barman, B.; Schweidenback, L.; Russ, A. H.; Tsai, Y.; Murphy, J. R.; Cartwright, A. N.; Zutic, I.; McCombe, B. D.; Petrou, A.; Chou, W.-C.; Fan, W. C.; Sellers, I. R.; Petukhov, A. G.; Oszwaldowski, R.
Magnetic polarons in (Zn,Mn)Te quantum dots (QD) show unconventional behavior. These structures exhibit a small red shift of the photoluminescence peak energy in the presence of a magnetic field B and they also have a weak dependence of the polaron energy EMP on temperature T and B. We attribute these properties to a large molecular field Bm that is proportional to the heavy holes spin density. We have calculated Bm using the QD diameter and height as adjustable parameters. Assuming hole localization, this calculation yields values of Bm >20 T. The assumption that the hole localization diameter can be smaller than the QD diameter is justified due to alloy and spin disorder scattering. Using the magnetic polaron free energy, we calculate EMP as function of T and B for a variety of Bm values. To get a weak dependence of EMP on T and Bwe must assume that the polaron temperature is higher than T. This work was supported by U.S. DOE BES, Award DE-SC0004890, NSF DMR-1305770 and U.S. ONR N000141310754.
Ground state energy of large polaron systems
Benguria, Rafael D.; Frank, Rupert L.; Lieb, Elliott H.
2015-02-15
The last unsolved problem about the many-polaron system, in the Pekar–Tomasevich approximation, is the case of bosons with the electron-electron Coulomb repulsion of strength exactly 1 (the “neutral case”). We prove that the ground state energy, for large N, goes exactly as −N{sup 7/5}, and we give upper and lower bounds on the asymptotic coefficient that agree to within a factor of 2{sup 2/5}.
Magnetic polarons in MnTe layers
NASA Astrophysics Data System (ADS)
Schinagl, F.; Bonanni, A.; Holl, S.; Prechtl, G.; Krenn, H.
1999-06-01
We investigate the crossover from antiferromagnetic to ferromagnetic behaviour in semimagnetic semiconductor structures. Systems with two dimensional magnetic layers of (1 0 0)-MnTe equispatially inserted four times in a CdTe quantum well, embedded between Cd 0.75Mg 0.25Te barriers are studied in the ideal paramagnetic limit. The interaction between localized magnetic spins and quantum confined electronic states is shown to give rise to the formation of free magnetic polarons.
Biopolymer hairpin loops sustained by polarons
NASA Astrophysics Data System (ADS)
Chakrabarti, B.; Piette, B. M. A. G.; Zakrzewski, W. J.
2012-08-01
We show that polarons can sustain looplike configurations in flexible biopolymers and that the size of the loops depend on both the flexural rigidity of the polymer and the electron-phonon coupling constant. In particular we show that for single stranded DNA (ssDNA) and polyacetylene such loops can have as few as seven monomers. We also show that these configurations are very stable under thermal fluctuations and so could facilitate the formation of hairpin loops of ssDNA.
Polaron transport in TiO{sub 2} thin films
Yildiz, Abdullah; Iacomi, Felicia; Mardare, Diana
2010-10-15
Undoped and Fe-doped TiO{sub 2} thin films were obtained by rf-sputtering technique onto heated glass substrates (250 deg. C) covered with indium tin oxide. The temperature dependence of the electrical conductivity was investigated in the temperature range 13-320 K, and it shows that the conduction mechanism in the studied samples is described by small-polaron hopping (SPH) at temperatures higher than half of the Debye temperature ({theta}{sub D}). It was found that the magnitude of the SPH coupling increases by Fe doping in TiO{sub 2} thin films. With decreasing temperature, the conduction behavior transited from SPH conduction to variable-range hopping (VRH) conduction. In the intermediate temperature domain (200 K
Parallelizable adiabatic gate teleportation
NASA Astrophysics Data System (ADS)
Nakago, Kosuke; Hajdušek, Michal; Nakayama, Shojun; Murao, Mio
2015-12-01
To investigate how a temporally ordered gate sequence can be parallelized in adiabatic implementations of quantum computation, we modify adiabatic gate teleportation, a model of quantum computation proposed by Bacon and Flammia [Phys. Rev. Lett. 103, 120504 (2009), 10.1103/PhysRevLett.103.120504], to a form deterministically simulating parallelized gate teleportation, which is achievable only by postselection. We introduce a twisted Heisenberg-type interaction Hamiltonian, a Heisenberg-type spin interaction where the coordinates of the second qubit are twisted according to a unitary gate. We develop parallelizable adiabatic gate teleportation (PAGT) where a sequence of unitary gates is performed in a single step of the adiabatic process. In PAGT, numeric calculations suggest the necessary time for the adiabatic evolution implementing a sequence of L unitary gates increases at most as O (L5) . However, we show that it has the interesting property that it can map the temporal order of gates to the spatial order of interactions specified by the final Hamiltonian. Using this property, we present a controlled-PAGT scheme to manipulate the order of gates by a control qubit. In the controlled-PAGT scheme, two differently ordered sequential unitary gates F G and G F are coherently performed depending on the state of a control qubit by simultaneously applying the twisted Heisenberg-type interaction Hamiltonians implementing unitary gates F and G . We investigate why the twisted Heisenberg-type interaction Hamiltonian allows PAGT. We show that the twisted Heisenberg-type interaction Hamiltonian has an ability to perform a transposed unitary gate by just modifying the space ordering of the final Hamiltonian implementing a unitary gate in adiabatic gate teleportation. The dynamics generated by the time-reversed Hamiltonian represented by the transposed unitary gate enables deterministic simulation of a postselected event of parallelized gate teleportation in adiabatic
Anderson localization makes adiabatic quantum optimization fail
Altshuler, Boris; Krovi, Hari; Roland, Jérémie
2010-01-01
Understanding NP-complete problems is a central topic in computer science (NP stands for nondeterministic polynomial time). This is why adiabatic quantum optimization has attracted so much attention, as it provided a new approach to tackle NP-complete problems using a quantum computer. The efficiency of this approach is limited by small spectral gaps between the ground and excited states of the quantum computer’s Hamiltonian. We show that the statistics of the gaps can be analyzed in a novel way, borrowed from the study of quantum disordered systems in statistical mechanics. It turns out that due to a phenomenon similar to Anderson localization, exponentially small gaps appear close to the end of the adiabatic algorithm for large random instances of NP-complete problems. This implies that unfortunately, adiabatic quantum optimization fails: The system gets trapped in one of the numerous local minima. PMID:20616043
Snedden, Edward W; Monkman, Andrew P; Dias, Fernando B
2013-04-01
Geminate polaron-pair recombination directly to the triplet state of the small dye molecule copper(II) 1,4,8,11,15,18,22,25-octabutoxy-29H,31H- phthalocyanine (CuPC) and exciton trapping in CuPC domains, combine to reduce the internal quantum efficiency of free polaron formation in the bulk-heterojunction blends of CuPC doped with [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) as the electron acceptor. PMID:22933249
NASA Astrophysics Data System (ADS)
Crooker, S. A.; Liu, F.; Kelley, M. R.; Martinez, N. J. D.; Nie, W.; Mohite, A.; Nayyar, I. H.; Tretiak, S.; Smith, D. L.; Ruden, P. P.
2014-10-01
We use spectrally resolved magneto-electroluminescence (EL) measurements to study the energy dependence of hyperfine interactions between polaron and nuclear spins in organic light-emitting diodes. Using layered devices that generate bright exciplex emission, we show that the increase in EL emission intensity I due to small applied magnetic fields of order 100 mT is markedly larger at the high-energy blue end of the EL spectrum (ΔI/I ˜ 11%) than at the low-energy red end (˜4%). Concurrently, the widths of the magneto-EL curves increase monotonically from blue to red, revealing an increasing hyperfine coupling between polarons and nuclei and directly providing insight into the energy-dependent spatial extent and localization of polarons.
Crooker, S. A.; Kelley, M. R.; Martinez, N. J. D.; Nie, W.; Mohite, A.; Nayyar, I. H.; Tretiak, S.; Smith, D. L.; Liu, F.; Ruden, P. P.
2014-10-13
We use spectrally resolved magneto-electroluminescence (EL) measurements to study the energy dependence of hyperfine interactions between polaron and nuclear spins in organic light-emitting diodes. Using layered devices that generate bright exciplex emission, we show that the increase in EL emission intensity I due to small applied magnetic fields of order 100 mT is markedly larger at the high-energy blue end of the EL spectrum (ΔI/I ∼ 11%) than at the low-energy red end (∼4%). Concurrently, the widths of the magneto-EL curves increase monotonically from blue to red, revealing an increasing hyperfine coupling between polarons and nuclei and directly providing insight into the energy-dependent spatial extent and localization of polarons.
Adiabatic cooling of antiprotons.
Gabrielse, G; Kolthammer, W S; McConnell, R; Richerme, P; Kalra, R; Novitski, E; Grzonka, D; Oelert, W; Sefzick, T; Zielinski, M; Fitzakerley, D; George, M C; Hessels, E A; Storry, C H; Weel, M; Müllers, A; Walz, J
2011-02-18
Adiabatic cooling is shown to be a simple and effective method to cool many charged particles in a trap to very low temperatures. Up to 3×10(6) p are cooled to 3.5 K-10(3) times more cold p and a 3 times lower p temperature than previously reported. A second cooling method cools p plasmas via the synchrotron radiation of embedded e(-) (with many fewer e(-) than p in preparation for adiabatic cooling. No p are lost during either process-a significant advantage for rare particles. PMID:21405511
Adiabatic Cooling of Antiprotons
Gabrielse, G.; Kolthammer, W. S.; McConnell, R.; Richerme, P.; Kalra, R.; Novitski, E.; Oelert, W.; Grzonka, D.; Sefzick, T.; Zielinski, M.; Fitzakerley, D.; George, M. C.; Hessels, E. A.; Storry, C. H.; Weel, M.; Muellers, A.; Walz, J.
2011-02-18
Adiabatic cooling is shown to be a simple and effective method to cool many charged particles in a trap to very low temperatures. Up to 3x10{sup 6} p are cooled to 3.5 K--10{sup 3} times more cold p and a 3 times lower p temperature than previously reported. A second cooling method cools p plasmas via the synchrotron radiation of embedded e{sup -} (with many fewer e{sup -} than p) in preparation for adiabatic cooling. No p are lost during either process--a significant advantage for rare particles.
Pochas, Christopher M.; Spano, Frank C.
2014-06-28
Infrared absorption of positively charged polarons in conjugated polymer chains and π-stacked aggregates is investigated theoretically, employing a Holstein-based Hamiltonian which treats electronic coupling, electron-vibrational coupling, and disorder on equal footing. The spectra evaluated from the Hamiltonian expressed in a one- and two-particle basis set are essentially exact, insofar as the main, aromatic-quinoidal vibrational mode is treated fully nonadiabatically. Diagonal and off-diagonal (“paracrystalline”) disorder are resolved along the polymer axis (x) and the aggregate stacking axis (y). Disorder along the polymer axis selectively attenuates the x-polarized spectrum, which is dominated by the polaron peak P{sub 1}. Disorder along the stacking axis selectively attenuates the y-polarized spectrum, which is dominated by the lower-energy charge-transfer peak, DP{sub 1}. Calculated spectra are in excellent agreement with the measured induced-absorption and charge-modulation spectra, reproducing the peak positions and relative peak intensities within a line shape rich in vibronic structure. Our nonadiabatic approach predicts the existence of a weak, x-polarized peak P{sub 0}, slightly blueshifted from DP{sub 1}. The peak is intrinsic to single polymer chains and appears in a region of the spectrum where narrow infrared active vibrational modes have been observed in nonaggregated conjugated polymers. The polaron responsible for P{sub 0} is composed mainly of two-particle wave functions and cannot be accounted for in the more conventional adiabatic treatments.
Adiabatically implementing quantum gates
Sun, Jie; Lu, Songfeng Liu, Fang
2014-06-14
We show that, through the approach of quantum adiabatic evolution, all of the usual quantum gates can be implemented efficiently, yielding running time of order O(1). This may be considered as a useful alternative to the standard quantum computing approach, which involves quantum gates transforming quantum states during the computing process.
Entanglement and adiabatic quantum computation
NASA Astrophysics Data System (ADS)
Ahrensmeier, D.
2006-06-01
Adiabatic quantum computation provides an alternative approach to quantum computation using a time-dependent Hamiltonian. The time evolution of entanglement during the adiabatic quantum search algorithm is studied, and its relevance as a resource is discussed.
Size dependent polaronic conduction in hematite
NASA Astrophysics Data System (ADS)
Sharma, Monika; Banday, Azeem; Murugavel, Sevi
2016-05-01
Lithium Ion Batteries have been attracted as the major renewable energy source for all portable electronic devices because of its advantages like superior energy density, high theoretical capacity, high specific energy, stable cycling and less memory effects. Recently, α-Fe2O3 has been considered as a potential anode material due to high specific capacity, low cost, high abundance and environmental benignity. We have synthesized α-Fe2O3 with various sizes by using the ball milling and sol-gel procedure. Here, we report the dc conductivity measurement for the crystallite size ranging from 15 nm to 50nm. It has been observed that the enhancement in the polaronic conductivity nearly two orders in magnitude while reducing the crystallite size from bulk into nano scale level. The enhancement in the conductivity is due to the augmented to compressive strain developed in the material which leads to pronounced decrease in the hopping length of polarons. Thus, nanocrystaline α-Fe2O3 may be a better alternative anode material for lithium ion batteries than earlier reported systems.
All-coupling theory for the Fröhlich polaron
NASA Astrophysics Data System (ADS)
Grusdt, F.
2016-04-01
The Fröhlich model describes the interaction of a mobile impurity with a surrounding bath of phonons which leads to the formation of a quasiparticle, the polaron. In this paper an efficient renormalization group approach is presented which provides a description of Fröhlich polarons in all regimes ranging from weak to strong coupling. The extended renormalization group approach introduced here is capable of predicting ground state properties for arbitrarily small impurity masses. This allows us to obtain the full phase diagram of the Fröhlich Hamiltonian, which we present concretely for the Bogoliubov-Fröhlich model originally introduced to describe ultracold impurities in a Bose-Einstein condensate. For this model, whose regime of validity in ultracold quantum gases is the subject of debate, we benchmark our method by comparison of the ground state energy to recent diagrammatic quantum Monte Carlo calculations.
Adiabatic approximation for the density matrix
NASA Astrophysics Data System (ADS)
Band, Yehuda B.
1992-05-01
An adiabatic approximation for the Liouville density-matrix equation which includes decay terms is developed. The adiabatic approximation employs the eigenvectors of the non-normal Liouville operator. The approximation is valid when there exists a complete set of eigenvectors of the non-normal Liouville operator (i.e., the eigenvectors span the density-matrix space), the time rate of change of the Liouville operator is small, and an auxiliary matrix is nonsingular. Numerical examples are presented involving efficient population transfer in a molecule by stimulated Raman scattering, with the intermediate level of the molecule decaying on a time scale that is fast compared with the pulse durations of the pump and Stokes fields. The adiabatic density-matrix approximation can be simply used to determine the density matrix for atomic or molecular systems interacting with cw electromagnetic fields when spontaneous emission or other decay mechanisms prevail.
Polaronic effects in one- and two-band quantum systems
NASA Astrophysics Data System (ADS)
Yin, Tao; Cocks, Daniel; Hofstetter, Walter
2015-12-01
In this work, we study the formation and dynamics of polarons in a system with a few impurities in a lattice immersed in a Bose-Einstein condensate (BEC). This system has been experimentally realized using ultracold atoms and optical lattices. Here, we consider a two-band model for the impurity atoms, along with a Bogoliubov approximation for the BEC, with phonons coupled to impurities via both intraband and interband transitions. We decouple this Fröhlich-type term by an extended two-band Lang-Firsov polaron transformation using a variational method. The new effective Hamiltonian with two (polaron) bands differs from the original Hamiltonian by modified coherent transport, polaron energy shifts, and induced long-range interaction. A Lindblad master-equation approach is used to take into account residual incoherent coupling between polaron and bath. This polaronic treatment yields a renormalized interband relaxation rate compared to Fermi's golden rule. For a strongly coupled two-band Fröhlich Hamiltonian, the polaron is tightly dressed in each band and can not tunnel between them, leading to an interband self-trapping effect.
Neukirch, Amanda J; Nie, Wanyi; Blancon, Jean-Christophe; Appavoo, Kannatassen; Tsai, Hsinhan; Sfeir, Matthew Y; Katan, Claudine; Pedesseau, Laurent; Even, Jacky; Crochet, Jared J; Gupta, Gautam; Mohite, Aditya D; Tretiak, Sergei
2016-06-01
Solution-processed organometallic perovskites have rapidly developed into a top candidate for the active layer of photovoltaic devices. Despite the remarkable progress associated with perovskite materials, many questions about the fundamental photophysical processes taking place in these devices, remain open. High on the list of unexplained phenomena are very modest mobilities despite low charge carrier effective masses. Moreover, experiments elucidate unique degradation of photocurrent affecting stable operation of perovskite solar cells. These puzzles suggest that, while ionic hybrid perovskite devices may have efficiencies on par with conventional Si and GaAs devices, they exhibit more complicated charge transport phenomena. Here we report the results from an in-depth computational study of small polaron formation, electronic structure, charge density, and reorganization energies using both periodic boundary conditions and isolated structures. Using the hybrid density functional theory, we found that volumetric strain in a CsPbI3 cluster creates a polaron with binding energy of around 300 and 900 meV for holes and electrons, respectively. In the MAPbI3 (MA = CH3NH3) cluster, both volumetric strain and MA reorientation effects lead to larger binding energies at around 600 and 1300 meV for holes and electrons, respectively. Such large reorganization energies suggest appearance of small polarons in organometallic perovskite materials. The fact that both volumetric lattice strain and MA molecular rotational degrees of freedom can cooperate to create and stabilize polarons indicates that in order to mitigate this problem, formamidinium (FA = HC(NH2)2) and cesium (Cs) based crystals and alloys, are potentially better materials for solar cell and other optoelectronic applications. PMID:27224519
Adiabatic topological quantum computing
NASA Astrophysics Data System (ADS)
Cesare, Chris; Landahl, Andrew J.; Bacon, Dave; Flammia, Steven T.; Neels, Alice
2015-07-01
Topological quantum computing promises error-resistant quantum computation without active error correction. However, there is a worry that during the process of executing quantum gates by braiding anyons around each other, extra anyonic excitations will be created that will disorder the encoded quantum information. Here, we explore this question in detail by studying adiabatic code deformations on Hamiltonians based on topological codes, notably Kitaev's surface codes and the more recently discovered color codes. We develop protocols that enable universal quantum computing by adiabatic evolution in a way that keeps the energy gap of the system constant with respect to the computation size and introduces only simple local Hamiltonian interactions. This allows one to perform holonomic quantum computing with these topological quantum computing systems. The tools we develop allow one to go beyond numerical simulations and understand these processes analytically.
Semiclassical and quantum polarons in crystalline acetanilide
NASA Astrophysics Data System (ADS)
Hamm, P.; Tsironis, G. P.
2007-08-01
Crystalline acetanilide is a an organic solid with peptide bond structure similar to that of proteins. Two states appear in the amide I spectral region having drastically different properties: one is strongly temperature dependent and disappears at high temperatures while the other is stable at all temperatures. Experimental and theoretical work over the past twenty five years has assigned the former to a selftrapped state while the latter to an extended free exciton state. In this article we review the experimental and theoretical developments on acetanilide paying particular attention to issues that are still pending. Although the interpretation of the states is experimentally sound, we find that specific theoretical comprehension is still lacking. Among the issues that that appear not well understood is the effective dimensionality of the selftrapped polaron and free exciton states.
Vast Hole- and Electron-Polaron Spatial Extent in Oligomeric π-Conjugated Porphyrin Arrays
NASA Astrophysics Data System (ADS)
Angiolillo, Paul; Rawson, Jeff; Therien, Michael
meso-Ethyne bridged π-conjugated zinc porphyrin oligomers (PZnn compounds) have been demonstrated to evince lowest excited singlet states that are globally delocalized. It has also previously been shown that hole-polaron states of these oligomers exhibit delocalization lengths that mirror the molecular spatial dimension, 7.5 nm in the case of the heptamer. Here we demonstrate that the electron-polaron states in PZnn compounds also feature vast areal delocalization. This finding is evidenced by concurrent optical and electron spin resonance measurements, coupled with electronic structure calculations that suggest atypically small reorganization energies for one-electron reduction of these materials. These results are buttressed by electron spin relaxation measurements of PZnn electron polarons that show that both T1 and T2 relaxation times are unusually large, on the order of 103 ns and 102 ns, respectively. Since rapid charge delocalization defines an important mechanism that mitigates Coulombic stabilization of photogenerated electron-hole pairs to create separated free charge carriers, and spin polarization lifetimes feature prominently in spin currents, these findings identify conjugated materials with exceptional optical, electronic, and spintronic properties.
Mapping polaronic states and lithiation gradients in individual V2O5 nanowires
NASA Astrophysics Data System (ADS)
de Jesus, Luis R.; Horrocks, Gregory A.; Liang, Yufeng; Parija, Abhishek; Jaye, Cherno; Wangoh, Linda; Wang, Jian; Fischer, Daniel A.; Piper, Louis F. J.; Prendergast, David; Banerjee, Sarbajit
2016-06-01
The rapid insertion and extraction of Li ions from a cathode material is imperative for the functioning of a Li-ion battery. In many cathode materials such as LiCoO2, lithiation proceeds through solid-solution formation, whereas in other materials such as LiFePO4 lithiation/delithiation is accompanied by a phase transition between Li-rich and Li-poor phases. We demonstrate using scanning transmission X-ray microscopy (STXM) that in individual nanowires of layered V2O5, lithiation gradients observed on Li-ion intercalation arise from electron localization and local structural polarization. Electrons localized on the V2O5 framework couple to local structural distortions, giving rise to small polarons that serves as a bottleneck for further Li-ion insertion. The stabilization of this polaron impedes equilibration of charge density across the nanowire and gives rise to distinctive domains. The enhancement in charge/discharge rates for this material on nanostructuring can be attributed to circumventing challenges with charge transport from polaron formation.
Mapping polaronic states and lithiation gradients in individual V2O5 nanowires.
De Jesus, Luis R; Horrocks, Gregory A; Liang, Yufeng; Parija, Abhishek; Jaye, Cherno; Wangoh, Linda; Wang, Jian; Fischer, Daniel A; Piper, Louis F J; Prendergast, David; Banerjee, Sarbajit
2016-01-01
The rapid insertion and extraction of Li ions from a cathode material is imperative for the functioning of a Li-ion battery. In many cathode materials such as LiCoO2, lithiation proceeds through solid-solution formation, whereas in other materials such as LiFePO4 lithiation/delithiation is accompanied by a phase transition between Li-rich and Li-poor phases. We demonstrate using scanning transmission X-ray microscopy (STXM) that in individual nanowires of layered V2O5, lithiation gradients observed on Li-ion intercalation arise from electron localization and local structural polarization. Electrons localized on the V2O5 framework couple to local structural distortions, giving rise to small polarons that serves as a bottleneck for further Li-ion insertion. The stabilization of this polaron impedes equilibration of charge density across the nanowire and gives rise to distinctive domains. The enhancement in charge/discharge rates for this material on nanostructuring can be attributed to circumventing challenges with charge transport from polaron formation. PMID:27349567
Evidence for photogenerated intermediate hole polarons in ZnO.
Sezen, Hikmet; Shang, Honghui; Bebensee, Fabian; Yang, Chengwu; Buchholz, Maria; Nefedov, Alexei; Heissler, Stefan; Carbogno, Christian; Scheffler, Matthias; Rinke, Patrick; Wöll, Christof
2015-01-01
Despite their pronounced importance for oxide-based photochemistry, optoelectronics and photovoltaics, only fairly little is known about the polaron lifetimes and binding energies. Polarons represent a crucial intermediate step populated immediately after dissociation of the excitons formed in the primary photoabsorption process. Here we present a novel approach to studying photoexcited polarons in an important photoactive oxide, ZnO, using infrared (IR) reflection-absorption spectroscopy (IRRAS) with a time resolution of 100 ms. For well-defined (10-10) oriented ZnO single-crystal substrates, we observe intense IR absorption bands at around 200 meV exhibiting a pronounced temperature dependence. On the basis of first-principles-based electronic structure calculations, we assign these features to hole polarons of intermediate coupling strength. PMID:25902307
Low hole polaron migration barrier in lithium peroxide
NASA Astrophysics Data System (ADS)
Ong, Shyue Ping; Mo, Yifei; Ceder, Gerbrand
2012-02-01
We present computational evidence of polaronic hole trapping and migration in lithium peroxide (Li2O2), a material of interest in lithium-air batteries. We find that the hole forms in the π* antibonding molecular orbitals of the peroxide (O22-) anion, and that this trapped hole induces significant local lattice distortion, forming a polaron. Our study finds migration barriers for the free polaron to be between 68 and 152 meV, depending on the hopping direction. This low barrier suggests that this material might not be as insulating as previously assumed, provided that the formation of carriers can be achieved. One transport limitation may arise from lithium vacancies, which we find to strongly bind to the polaron. This result, in combination with previous experimental results, suggests that electronic conductivity in this material is likely to be determined by vacancy diffusion.
Bazzani, A.; Turchetti, G.; Benedetti, C.; Rambaldi, S.; Servizi, G.
2005-06-08
In a high intensity circular accelerator the synchrotron dynamics introduces a slow modulation in the betatronic tune due to the space-charge tune depression. When the transverse motion is non-linear due to the presence of multipolar effects, resonance islands move in the phase space and change their amplitude. This effect introduces the trapping and detrapping phenomenon and a slow diffusion in the phase space. We apply the neo-adiabatic theory to describe this diffusion mechanism that can contribute to halo formation.
NASA Astrophysics Data System (ADS)
Bruening, Hauke; Imlau, Mirco
2011-03-01
In thermally reduced, nominally pure LiNb O3 a variety of small polarons can be observed, being responsible for the distinct photochromic properties of this material. In this contribution we use a spatially modulated excitation of polarons for the recording of holographic gratings. These gratings inherit some of the pronounced features of the polarons like a stretched-exponential relaxation behavior with a lifetime in the ms-range. Beside amplitude gratings we also find phase gratings leading to a high diffraction efficiency in some recording and readout geometries. The origin of these phase gratings can't be explained by the classic photorefractive effect due to Fe Li or other photorefractive dopants. In contrast, our findings are discussed in the frame of a model taking into account a local change of the refractive index by the polaronic distortion of the crystal lattice. Measurements of activation energies also indicate that these gratings can be attributed to the small bound (NbLi4 +)-polaron. Financial support by Deutsche Forschungsgemeinschaft (IM 37/5-1) is gratefully acknowledged.
Attractive and repulsive Fermi polarons in two dimensions.
Koschorreck, Marco; Pertot, Daniel; Vogt, Enrico; Fröhlich, Bernd; Feld, Michael; Köhl, Michael
2012-05-31
The dynamics of a single impurity in an environment is a fundamental problem in many-body physics. In the solid state, a well known case is an impurity coupled to a bosonic bath (such as lattice vibrations); the impurity and its accompanying lattice distortion form a new entity, a polaron. This quasiparticle plays an important role in the spectral function of high-transition-temperature superconductors, as well as in colossal magnetoresistance in manganites. For impurities in a fermionic bath, studies have considered heavy or immobile impurities which exhibit Anderson's orthogonality catastrophe and the Kondo effect. More recently, mobile impurities have moved into the focus of research, and they have been found to form new quasiparticles known as Fermi polarons. The Fermi polaron problem constitutes the extreme, but conceptually simple, limit of two important quantum many-body problems: the crossover between a molecular Bose-Einstein condensate and a superfluid with BCS (Bardeen-Cooper-Schrieffer) pairing with spin-imbalance for attractive interactions, and Stoner's itinerant ferromagnetism for repulsive interactions. It has been proposed that such quantum phases (and other elusive exotic states) might become realizable in Fermi gases confined to two dimensions. Their stability and observability are intimately related to the theoretically debated properties of the Fermi polaron in a two-dimensional Fermi gas. Here we create and investigate Fermi polarons in a two-dimensional, spin-imbalanced Fermi gas, measuring their spectral function using momentum-resolved photoemission spectroscopy. For attractive interactions, we find evidence for a disputed pairing transition between polarons and tightly bound dimers, which provides insight into the elementary pairing mechanism of imbalanced, strongly coupled two-dimensional Fermi gases. Additionally, for repulsive interactions, we study novel quasiparticles--repulsive polarons--the lifetime of which determines the
NASA Astrophysics Data System (ADS)
Landahl, Andrew
2012-10-01
Quantum computers promise to exploit counterintuitive quantum physics principles like superposition, entanglement, and uncertainty to solve problems using fundamentally fewer steps than any conventional computer ever could. The mere possibility of such a device has sharpened our understanding of quantum coherent information, just as lasers did for our understanding of coherent light. The chief obstacle to developing quantum computer technology is decoherence--one of the fastest phenomena in all of physics. In principle, decoherence can be overcome by using clever entangled redundancies in a process called fault-tolerant quantum error correction. However, the quality and scale of technology required to realize this solution appears distant. An exciting alternative is a proposal called ``adiabatic'' quantum computing (AQC), in which adiabatic quantum physics keeps the computer in its lowest-energy configuration throughout its operation, rendering it immune to many decoherence sources. The Adiabatic Quantum Architectures In Ultracold Systems (AQUARIUS) Grand Challenge Project at Sandia seeks to demonstrate this robustness in the laboratory and point a path forward for future hardware development. We are building devices in AQUARIUS that realize the AQC architecture on up to three quantum bits (``qubits'') in two platforms: Cs atoms laser-cooled to below 5 microkelvin and Si quantum dots cryo-cooled to below 100 millikelvin. We are also expanding theoretical frontiers by developing methods for scalable universal AQC in these platforms. We have successfully demonstrated operational qubits in both platforms and have even run modest one-qubit calculations using our Cs device. In the course of reaching our primary proof-of-principle demonstrations, we have developed multiple spinoff technologies including nanofabricated diffractive optical elements that define optical-tweezer trap arrays and atomic-scale Si lithography commensurate with placing individual donor atoms with
Geometry of the Adiabatic Theorem
ERIC Educational Resources Information Center
Lobo, Augusto Cesar; Ribeiro, Rafael Antunes; Ribeiro, Clyffe de Assis; Dieguez, Pedro Ruas
2012-01-01
We present a simple and pedagogical derivation of the quantum adiabatic theorem for two-level systems (a single qubit) based on geometrical structures of quantum mechanics developed by Anandan and Aharonov, among others. We have chosen to use only the minimum geometric structure needed for the understanding of the adiabatic theorem for this case.…
Non-adiabatic perturbations in Ricci dark energy model
Karwan, Khamphee; Thitapura, Thiti E-mail: nanodsci2523@hotmail.com
2012-01-01
We show that the non-adiabatic perturbations between Ricci dark energy and matter can grow both on superhorizon and subhorizon scales, and these non-adiabatic perturbations on subhorizon scales can lead to instability in this dark energy model. The rapidly growing non-adiabatic modes on subhorizon scales always occur when the equation of state parameter of dark energy starts to drop towards -1 near the end of matter era, except that the parameter α of Ricci dark energy equals to 1/2. In the case where α = 1/2, the rapidly growing non-adiabatic modes disappear when the perturbations in dark energy and matter are adiabatic initially. However, an adiabaticity between dark energy and matter perturbations at early time implies a non-adiabaticity between matter and radiation, this can influence the ordinary Sachs-Wolfe (OSW) effect. Since the amount of Ricci dark energy is not small during matter domination, the integrated Sachs-Wolfe (ISW) effect is greatly modified by density perturbations of dark energy, leading to a wrong shape of CMB power spectrum. The instability in Ricci dark energy is difficult to be alleviated if the effects of coupling between baryon and photon on dark energy perturbations are included.
Magnetic frustration in itinerant systems: the Kondo polaron problem
NASA Astrophysics Data System (ADS)
Isaev, Leonid; Batista, Cristian; Vekhter, Ilya
2013-03-01
We study the interplay between magnetic frustration and Kondo screening in Kondo lattices by analyzing the J1-J2 antiferromagnetic chain coupled to a conduction band. The system is tuned to the Majumdar-Ghosh point J2 =J1 / 2 which stabilizes a dimer valence-bond solid at weak Kondo coupling JK. We use an effective low-energy theory to demonstrate that sufficiently large JK results in a proliferation of ``Kondo polarons'', i.e. Kondo-screened domain-wall excitations of the dimer state, and collapse of the dimer order via a 2nd order quantum phase transition. At the quantum critical point, JK =JKc , these polarons become gapless, and we argue that the transition itself belongs to a 2D Ising universality class. For JK >JKc increasing concentration of the polarons leads to a continuous growth of the electron Fermi momentum until all spins are absorbed by the Fermi sea.
Adiabatic Quantum Simulation of Quantum Chemistry
Babbush, Ryan; Love, Peter J.; Aspuru-Guzik, Alán
2014-01-01
We show how to apply the quantum adiabatic algorithm directly to the quantum computation of molecular properties. We describe a procedure to map electronic structure Hamiltonians to 2-body qubit Hamiltonians with a small set of physically realizable couplings. By combining the Bravyi-Kitaev construction to map fermions to qubits with perturbative gadgets to reduce the Hamiltonian to 2-body, we obtain precision requirements on the coupling strengths and a number of ancilla qubits that scale polynomially in the problem size. Hence our mapping is efficient. The required set of controllable interactions includes only two types of interaction beyond the Ising interactions required to apply the quantum adiabatic algorithm to combinatorial optimization problems. Our mapping may also be of interest to chemists directly as it defines a dictionary from electronic structure to spin Hamiltonians with physical interactions. PMID:25308187
Decoherence in a scalable adiabatic quantum computer
Ashhab, S.; Johansson, J. R.; Nori, Franco
2006-11-15
We consider the effects of decoherence on Landau-Zener crossings encountered in a large-scale adiabatic-quantum-computing setup. We analyze the dependence of the success probability--i.e., the probability for the system to end up in its new ground state--on the noise amplitude and correlation time. We determine the optimal sweep rate that is required to maximize the success probability. We then discuss the scaling of decoherence effects with increasing system size. We find that those effects can be important for large systems, even if they are small for each of the small building blocks.
Numerical simulation of photoexcited polaron states in water
NASA Astrophysics Data System (ADS)
Zemlyanaya, E. V.; Volokhova, A. V.; Lakhno, V. D.; Amirkhanov, I. V.; Puzynin, I. V.; Puzynina, T. P.; Rikhvitskiy, V. S.; Atanasova, P. Kh.
2015-10-01
We consider the dynamic polaron model of the hydrated electron state on the basis of a system of three nonlinear partial differential equations with appropriate initial and boundary conditions. A parallel numerical algorithm for the numerical solution of this system has been developed. Its effectiveness has been tested on a few multi-processor systems. A numerical simulation of the polaron states formation in water under the action of the ultraviolet range laser irradiation has been performed. The numerical results are shown to be in a reasonable agreement with experimental data and theoretical predictions.
Numerical simulation of photoexcited polaron states in water
Zemlyanaya, E. V. Volokhova, A. V.; Amirkhanov, I. V.; Puzynin, I. V.; Puzynina, T. P.; Rikhvitskiy, V. S.; Lakhno, V. D.; Atanasova, P. Kh.
2015-10-28
We consider the dynamic polaron model of the hydrated electron state on the basis of a system of three nonlinear partial differential equations with appropriate initial and boundary conditions. A parallel numerical algorithm for the numerical solution of this system has been developed. Its effectiveness has been tested on a few multi-processor systems. A numerical simulation of the polaron states formation in water under the action of the ultraviolet range laser irradiation has been performed. The numerical results are shown to be in a reasonable agreement with experimental data and theoretical predictions.
Optically induced magnetic polarons in EuTe
Henriques, A. B.; Galgano, G. D.; Abramof, E.; Rappl, P. H. O.
2013-12-04
Direct measurements of the photoinduced magnetization in EuTe, using a two color pump-and-probe technique, are presented. The photoinduced effect was pumped using photons of above-the-bandgap energy, and detected by the Faraday rotation of a probe beam of energy below-the-bandgap. The photoinduced Faraday rotation changes sign, as expected from our model for the optically induced magnetic polaron. The EuTe spin-flop transition at low fields is also detected as a sharp step in the photoinduced Faraday rotation, and its observation provides additional supports for the photoinduced polaron model.
Polaronic Transport in Phosphate Glasses Containing Transition Metal Ions
NASA Astrophysics Data System (ADS)
Henderson, Mark
The goal of this dissertation is to characterize the basic transport properties of phosphate glasses containing various amounts of TIs and to identify and explain any electronic phase transitions which may occur. The P2 O5-V2O5-WO3 (PVW) glass system will be analyzed to find the effect of TI concentration on conduction. In addition, the effect of the relative concentrations of network forming ions (SiO2 and P2O5) on transport will be studied in the P2O5-SiO2-Fe2O 3 (PSF) system. Also presented is a numerical study on a tight-binding model adapted for the purposes of modelling Gaussian traps, mimicking TI's, which are arranged in an extended network. The results of this project will contribute to the development of fundamental theories on the electronic transport in glasses containing mixtures of transition oxides as well as those containing multiple network formers without discernible phase separation. The present study on the PVW follows up on previous investigation into the effect on mixed transition ions in oxide glasses. Past research has focused on glasses containing transition metal ions from the 3d row. The inclusion of tungsten, a 5d transition metal, adds a layer of complexity through the mismatch of the energies of the orbitals contributing to localized states. The data have indicated that a transition reminiscent of a metal-insulator transition (MIT) occurs in this system as the concentration of tungsten increases. As opposed to some other MIT-like transitions found in phosphate glass systems, there seems to be no polaron to bipolaron conversion. Instead, the individual localization parameter for tungsten noticeably decreases dramatically at the transition point as well as the adiabaticity. Another distinctive feature of this project is the study of the PSF system, which contains two true network formers, phosphorous pentoxide (P2O 5) and silicon dioxide (SiO2). It is not usually possible to do a reliable investigation of the conduction properties of
Adiabatic charging of nickel-hydrogen batteries
NASA Technical Reports Server (NTRS)
Lurie, Chuck; Foroozan, S.; Brewer, Jeff; Jackson, Lorna
1995-01-01
Battery management during prelaunch activities has always required special attention and careful planning. The transition from nickel-cadium to nickel-hydrogen batteries, with their high self discharge rate and lower charge efficiency, as well as longer prelaunch scenarios, has made this aspect of spacecraft battery management even more challenging. The AXAF-I Program requires high battery state of charge at launch. The use of active cooling, to ensure efficient charging, was considered and proved to be difficult and expensive. Alternative approaches were evaluated. Optimized charging, in the absence of cooling, appeared promising and was investigated. Initial testing was conducted to demonstrate the feasibility of the 'Adiabatic Charging' approach. Feasibility was demonstrated and additional testing performed to provide a quantitative, parametric data base. The assumption that the battery is in an adiabatic environment during prelaunch charging is a conservative approximation because the battery will transfer some heat to its surroundings by convective air cooling. The amount is small compared to the heat dissipated during battery overcharge. Because the battery has a large thermal mass, substantial overcharge can occur before the cells get too hot to charge efficiently. The testing presented here simulates a true adiabatic environment. Accordingly the data base may be slightly conservative. The adiabatic charge methodology used in this investigation begins with stabilizing the cell at a given starting temperature. The cell is then fully insulated on all sides. Battery temperature is carefully monitored and the charge terminated when the cell temperature reaches 85 F. Charging has been evaluated with starting temperatures from 55 to 75 F.
A Nonempirical Comparison of the Polaron and Mowat Sensor.
ERIC Educational Resources Information Center
Moore, Karyl A.
1995-01-01
This article compares two electronic aids that send out an elliptical cone of ultrasonic sound that bounces back as a usable information signal for individuals with blindness. The Polaron is better for people who are predominantly route travelers or with limited hand use. The Mowat Sensor is better for travelers in a variety of environments. (JDD)
Deep electron and hole polarons and bipolarons in amorphous oxide
NASA Astrophysics Data System (ADS)
Kaviani, Moloud; Strand, Jack; Afanas'ev, Valery V.; Shluger, Alexander L.
2016-07-01
Amorphous (a)-HfO2 is a prototype high dielectric constant insulator with wide technological applications. Using ab initio calculations we show that excess electrons and holes can trap in a-HfO2 in energetically much deeper polaron states than in the crystalline monoclinic phase. The electrons and holes localize at precursor sites, such as elongated Hf-O bonds or undercoordinated Hf and O atoms, and the polaronic relaxation is amplified by the local disorder of amorphous network. Single electron polarons produce states in the gap at ˜2 eV below the bottom of the conduction band with average trapping energies of 1.0 eV. Two electrons can form even deeper bipolaron states on the same site. Holes are typically localized on undercoordinated O ions with average trapping energies of 1.4 eV. These results advance our general understanding of charge trapping in amorphous oxides by demonstrating that deep polaron states are inherent and do not require any bond rupture to form precursor sites.
Thermal enhancement and stochastic resonance of polaron ratchets.
Brizhik, L S; Eremko, A A; Piette, B M A G; Zakrzewski, W J
2014-06-01
We study the ratchet drift of large polarons (solitons) in molecular diatomic chains induced by unbiased time periodic electric fields at nonzero temperature below its critical value. We show that, at a nonzero temperature, the critical value of the intensity of the electric field above which the ratchet phenomenon takes place is lower than at zero temperature for the same frequency of the field. We show that there is a range of temperatures for which the polaron drift is larger than that at zero temperature. We also show that temperature decreases the value of the lowest critical period of the field. And, finally, we demonstrate that there is a stochastic resonance in a polaron ratchet, namely that there is an optimal temperature at which the polaron drift is a maximum. The values of the stochastic resonance temperature, the lowest critical values of the field intensity, and its period depend on various parameters of the system and, in particular, on the anisotropy of the chain parameters. This temperature induced decrease of the critical value of the field intensity and its period, as well as the stochastic resonance itself, may be important for practical applications of the ratchet phenomenon in systems involving conducting polymers and other low-dimensional materials. They may also be important in some biological macromolecules where the ratchet phenomenon could take place in biomotors and energy and/or charge transport. PMID:25019849
Thermal enhancement and stochastic resonance of polaron ratchets
NASA Astrophysics Data System (ADS)
Brizhik, L. S.; Eremko, A. A.; Piette, B. M. A. G.; Zakrzewski, W. J.
2014-06-01
We study the ratchet drift of large polarons (solitons) in molecular diatomic chains induced by unbiased time periodic electric fields at nonzero temperature below its critical value. We show that, at a nonzero temperature, the critical value of the intensity of the electric field above which the ratchet phenomenon takes place is lower than at zero temperature for the same frequency of the field. We show that there is a range of temperatures for which the polaron drift is larger than that at zero temperature. We also show that temperature decreases the value of the lowest critical period of the field. And, finally, we demonstrate that there is a stochastic resonance in a polaron ratchet, namely that there is an optimal temperature at which the polaron drift is a maximum. The values of the stochastic resonance temperature, the lowest critical values of the field intensity, and its period depend on various parameters of the system and, in particular, on the anisotropy of the chain parameters. This temperature induced decrease of the critical value of the field intensity and its period, as well as the stochastic resonance itself, may be important for practical applications of the ratchet phenomenon in systems involving conducting polymers and other low-dimensional materials. They may also be important in some biological macromolecules where the ratchet phenomenon could take place in biomotors and energy and/or charge transport.
Polaron mass of charge carriers in semiconductor quantum wells
Maslov, A. Yu. Proshina, O. V.
2015-10-15
A theory of the interaction of charge carriers with optical phonons in a quantum well is developed with consideration for interface optical phonons. The dependence of the polaron effective mass on the quantum-well dimensions and dielectric characteristics of barriers is analyzed in detail. It is shown that, in narrow quantum wells, a quasi-two-dimensional polaron can be formed. In this case, however, the interaction parameters are defined by the charge-carrier effective mass in the quantum well and by the frequencies of interface optical phonons. If barriers are made of a nonpolar material, the polaron effective mass depends on the quantum-well width. As the quantum-well width is increased, a new mechanism of enhancement of the electron–phonon interaction develops. The mechanism is implemented, if the optical phonon energy is equal to the energy of one of the electronic transitions. This condition yields an unsteady dependence of the polaron effective mass on the quantum-well width.
Polarons and Mobile Impurities Near a Quantum Phase Transition
NASA Astrophysics Data System (ADS)
Shadkhoo, Shahriar
This dissertation aims at improving the current understanding of the physics of mobile impurities in highly correlated liquid-like phases of matter. Impurity problems pose challenging and intricate questions in different realms of many-body physics. For instance, the problem of ''solvation'' of charged solutes in polar solvents, has been the subject of longstanding debates among chemical physicists. The significant role of quantum fluctuations of the solvent, as well as the break down of linear response theory, render the ordinary treatments intractable. Inspired by this complicated problem, we first attempt to understand the role of non-specific quantum fluctuations in the solvation process. To this end, we calculate the dynamic structure factor of a model polar liquid, using the classical Molecular Dynamics (MD) simulations. We verify the failure of linear response approximation in the vicinity of a hydrated electron, by comparing the outcomes of MD simulations with the predictions of linear response theory. This nonlinear behavior is associated with the pronounced peaks of the structure factor, which reflect the strong fluctuations of the local modes. A cavity picture is constructed based on heuristic arguments, which suggests that the electron, along with the surrounding polarization cloud, behave like a frozen sphere, for which the linear response theory is broken inside and valid outside. The inverse radius of the spherical region serves as a UV momentum cutoff for the linear response approximation to be applicable. The problem of mobile impurities in polar liquids can be also addressed in the framework of the ''polaron'' problem. Polaron is a quasiparticle that typically acquires an extended state at weak couplings, and crossovers to a self-trapped state at strong couplings. Using the analytical fits to the numerically obtained charge-charge structure factor, a phenomenological approach is proposed within the Leggett's influence functional formalism, which
The structure of nanoscale polaron correlations in the layered manganites
NASA Astrophysics Data System (ADS)
Campbell, Branton
2002-03-01
Recent x-ray and neutron scattering experiments have uncovered nanoscale polaron correlations that play an essential role in the colossal magnetoresistive (CMR) behavior of the perovskite manganites. Short-range polaronic order decreases the charge-carrier mobility of the high-temperature paramagnetic state, and subsequently becomes unstable at the ferromagnetic transition, contributing to a pronounced resistivity decrease at T_C. In the bilayered perovskite system La_2-2xSr_1+2xMn_2O7 (0.3 < x < 0.5), weak x-ray diffuse scattering maxima reveal a one-dimensional incommensurate structural modulation with wavevector q = (0.3, 0, ± 1) and a correlation length of 10 to 30 Angstroms. A crystallographic analysis of the diffuse satellite intensities yields a longitudinal Jahn-Teller stretch mode suggestive of charge-density-wave fluctuations. Within the correlated regions, polaronic eg electrons form a striped pattern of occupied d(3x^2-r^2) orbitals. Dynamic polaron correlations of the zig-zag orbital type are also observed above TC and exhibit distinctly glassy behavior. These structures provide unique insights into the nature of strongly correlated polaronic systems. Collaborators: R. Osborn, D.N. Argyriou, S. Rosenkranz, L. Vasiliu-Doloc, J.F. Mitchell, S.K. Sinha, J.W. Lynn, C.D. Ling, Z. Islam, U. Ruett, and A. Berger. This work was supported by the U.S. DOE Office of Science contract No. W-31-109-ENG-38.
Adiabatic passage in the presence of noise
NASA Astrophysics Data System (ADS)
Noel, T.; Dietrich, M. R.; Kurz, N.; Shu, G.; Wright, J.; Blinov, B. B.
2012-02-01
We report on an experimental investigation of rapid adiabatic passage (RAP) in a trapped barium ion system. RAP is implemented on the transition from the 6S1/2 ground state to the metastable 5D5/2 level by applying a laser at 1.76 μm. We focus on the interplay of laser frequency noise and laser power in shaping the effectiveness of RAP, which is commonly assumed to be a robust tool for high-efficiency population transfer. However, we note that reaching high state transfer fidelity requires a combination of small laser linewidth and large Rabi frequency.
An adiabatic demagnetization refrigerator for infrared bolometers
NASA Technical Reports Server (NTRS)
Britt, R. D.; Richards, P. L.
1981-01-01
Adiabatic demagnetization refrigerators have been built and installed in small portable liquid helium cryostats to test the feasibility of this method of cooling infrared bolometric detectors to temperatures below 0.3 K. Performance has been achieved which suggests that bolometer temperatures of 0.2 K can be maintained for periods of approximately 60 hours. Applications to sensitive infrared detection from ground-based telescopes and space satellites are discussed. Design data are given which permit the evaluation of refrigerator performance for a variety of design parameters.
Polaron hopping in olivine phosphates studied by nuclear resonant scattering
NASA Astrophysics Data System (ADS)
Tracy, Sally June
Valence fluctuations of Fe2+ and Fe3+ were studied in a solid solution of LixFePO4 by nuclear resonant forward scattering of synchrotron x rays while the sample was heated in a diamond-anvil pressure cell. The spectra acquired at different temperatures and pressures were analyzed for the frequencies of valence changes using the Blume-Tjon model of a system with a fluctuating Hamiltonian. These frequencies were analyzed to obtain activation energies and an activation volume for polaron hopping. There was a large suppression of hopping frequency with pressure, giving an anomalously large activation volume. This large, positive value is typical of ion diffusion, which indicates correlated motions of polarons, and Li+ ions that alter the dynamics of both. In a parallel study of NaxFePO4, the interplay between sodium ordering and electron mobility was investigated using a combination of synchrotron x-ray diffraction and nuclear resonant scattering. Conventional Mossbauer spectra were collected while the sample was heated in a resistive furnace. An analysis of the temperature evolution of the spectral shapes was used to identify the onset of fast electron hopping and determine the polaron hopping rate. Synchrotron x-ray diffraction measurements were carried out in the same temperature range. Reitveld analysis of the diffraction patterns was used to determine the temperature of sodium redistribution on the lattice. The diffraction analysis also provides new information about the phase stability of the system. The temperature evolution of the iron site occupancies from the Mossbauer measurements, combined with the synchrotron diffraction results give strong evidence for a relationship between the onset of fast electron dynamics and the redistribution of sodium in the lattice. Measurements of activation barriers for polaron hopping gave fundamental insights about the correlation between electronic carriers and mobile ions. This work established that polaron-ion interactions
Adiabatic evolution of plasma equilibrium
Grad, H.; Hu, P. N.; Stevens, D. C.
1975-01-01
A new theory of plasma equilibrium is introduced in which adiabatic constraints are specified. This leads to a mathematically nonstandard structure, as compared to the usual equilibrium theory, in which prescription of pressure and current profiles leads to an elliptic partial differential equation. Topologically complex configurations require further generalization of the concept of adiabaticity to allow irreversible mixing of plasma and magnetic flux among islands. Matching conditions across a boundary layer at the separatrix are obtained from appropriate conservation laws. Applications are made to configurations with planned islands (as in Doublet) and accidental islands (as in Tokamaks). Two-dimensional, axially symmetric, helically symmetric, and closed line equilibria are included. PMID:16578729
Polarons and Mobile Impurities Near a Quantum Phase Transition
NASA Astrophysics Data System (ADS)
Shadkhoo, Shahriar
This dissertation aims at improving the current understanding of the physics of mobile impurities in highly correlated liquid-like phases of matter. Impurity problems pose challenging and intricate questions in different realms of many-body physics. For instance, the problem of ''solvation'' of charged solutes in polar solvents, has been the subject of longstanding debates among chemical physicists. The significant role of quantum fluctuations of the solvent, as well as the break down of linear response theory, render the ordinary treatments intractable. Inspired by this complicated problem, we first attempt to understand the role of non-specific quantum fluctuations in the solvation process. To this end, we calculate the dynamic structure factor of a model polar liquid, using the classical Molecular Dynamics (MD) simulations. We verify the failure of linear response approximation in the vicinity of a hydrated electron, by comparing the outcomes of MD simulations with the predictions of linear response theory. This nonlinear behavior is associated with the pronounced peaks of the structure factor, which reflect the strong fluctuations of the local modes. A cavity picture is constructed based on heuristic arguments, which suggests that the electron, along with the surrounding polarization cloud, behave like a frozen sphere, for which the linear response theory is broken inside and valid outside. The inverse radius of the spherical region serves as a UV momentum cutoff for the linear response approximation to be applicable. The problem of mobile impurities in polar liquids can be also addressed in the framework of the ''polaron'' problem. Polaron is a quasiparticle that typically acquires an extended state at weak couplings, and crossovers to a self-trapped state at strong couplings. Using the analytical fits to the numerically obtained charge-charge structure factor, a phenomenological approach is proposed within the Leggett's influence functional formalism, which
Polaron luminescence in iron-doped lithium niobate
NASA Astrophysics Data System (ADS)
Harhira, A.; Guilbert, L.; Bourson, P.; Rinnert, H.
2008-09-01
Photoluminescence related to the bound polaron Nb{Li/4+} is investigated as a function of temperature and incident light intensity in iron-doped lithium niobate crystals with various iron concentrations. Experiments are done under constant-wave (CW) and pulsed illumination. Its found that the decay time is always monoexponential. The radiative lifetime, the activation energy of the nonradiative lifetime and the quenching temperature are only weakly sensitive to iron concentration. On the other hand, the magnitude of the photoluminescence signal seems strongly correlated to the Fe2+ concentration, and the superlinear regime evidenced at low CW illumination definitely confirms that polaron excitation in lithium niobate is a two-step process.
Polaron and bipolaron of uniaxially strained one dimensional zigzag ladder
NASA Astrophysics Data System (ADS)
Yavidov, B. Ya.
2016-09-01
An influence of the uniaxial strains in one dimensional zigzag ladder (1DZL) on the properties of polarons and bipolarons is considered. It is shown that strain changes all the parameters of the system, in particular, spectrum, existing bands and the masses of charge carriers. Numerical results obtained by taking into an account the Poisson effect clearly indicate that the properties of the (bi)polaronic system can be tuned via strain. Mass of bipolaron can be manipulated by the strain too which in turn leads to the way of tuning Bose-Einstein condensation temperature TBEC of bipolarons. It is shown that TBEC of bipolarons in strained 1DZL reasonably correlates with the values of critical temperature of superconductivity of certain perovskites.
The properties of strong couple bound polaron in monolayer graphene
NASA Astrophysics Data System (ADS)
Ding, Zhao-Hua; Zhao, Ying; Xiao, Jing-Lin
2016-09-01
Based on the Hamiltonian of the interaction energy between electron on the surface of the graphene and longitudinal acoustic phonon on the surface of the substrate, the paper studies the properties of strong couple polaron in monolayer graphene considering the coulomb doping problem. The conventional Lee-Low-Pine unitary transformation method and linear combination operator method are used to calculate the ground state energy of the polaron. The results show that the ground state energy of the system has a linear relationship with the magnetic field strength, the cut-off wave number, the coulomb bound parameter, the distance between the graphene and the substrates, meanwhile, the ground state energy will split into two branches near the Dirac point.
Orbital effects of strong magnetic field on a two-dimensional Holstein polaron
NASA Astrophysics Data System (ADS)
Pradhan, Subhasree; Chakraborty, Monodeep; Taraphder, A.
2016-03-01
We investigate the orbital effects of a strong external magnetic field on the ground-state properties of a two-dimensional (2D) Holstein polaron, employing variational approaches based on exact diagonalization. From the ground-state energy and the wave function, we calculate the electron-phonon correlation function, the average phonon number, and the Drude weight and investigate the evolution of a 2D Holstein polaron as a function of the magnetic flux. Although the external magnetic field affects the polaron throughout the parameter regime, we show that the magnetic field has a stronger effect on a loosely bound (spatially extended) polaron. We also find that the magnetic field can be used as a tuning parameter, particularly for a weakly coupled polaron, to reduce the spatial extent of a large polaron.
Solution of the Fröhlich polaron problem at intermediate couplings
NASA Astrophysics Data System (ADS)
Grusdt, Fabian; Shchadilova, Yulia E.; Rubtsov, Alexey N.; Demler, Eugene
2015-05-01
We develop a renormalization group approach for analyzing Fröhlich polarons and apply it to a problem of impurity atoms immersed in a Bose-Einstein condensate (BEC) of ultra cold atoms. Polaron energies obtained by our method are in excellent agreement with recent diagrammatic Monte Carlo calculations for a wide range of interaction strengths. We show analytically that the energy of the Fröhlich polaron in a BEC is logarithmically UV divergent, and present a regularization scheme. This allows us to make predictions for the polaron energy, which can be tested in future experiments. Furthermore we calculate the effective mass of polarons and find a smooth crossover from weak to strong coupling regimes. Our method can be generalized to non-equilibrium polaron problems.
Radio-frequency spectroscopy of polarons in ultracold Bose gases
NASA Astrophysics Data System (ADS)
Shashi, Aditya; Grusdt, Fabian; Abanin, Dmitry A.; Demler, Eugene
2014-05-01
Recent experimental advances enabled the realization of mobile impurities immersed in a Bose-Einstein condensate (BEC) of ultracold atoms. Here, we consider impurities with two or more internal hyperfine states, and study their radio-frequency (rf) absorption spectra, which correspond to transitions between two different hyperfine states. We calculate rf spectra for the case when one of the hyperfine states involved interacts with the BEC, while the other state is noninteracting, by performing a nonperturbative resummation of the probabilities of exciting different numbers of phonon modes. In the presence of interactions, the impurity gets dressed by Bogoliubov excitations of the BEC, and forms a polaron. The rf signal contains a δ-function peak centered at the energy of the polaron measured relative to the bare impurity transition frequency with a weight equal to the amount of bare impurity character in the polaron state. The rf spectrum also has a broad incoherent part arising from the background excitations of the BEC, with a characteristic power-law tail that appears as a consequence of the universal physics of contact interactions. We discuss both the direct rf measurement, in which the impurity is initially in an interacting state, and the inverse rf measurement, in which the impurity is initially in a noninteracting state. In the latter case, in order to calculate the rf spectrum, we solve the problem of polaron formation: a mobile impurity is suddenly introduced in a BEC, and dynamically gets dressed by Bogoliubov phonons. Our solution is based on a time-dependent variational ansatz of coherent states of Bogoliubov phonons, which becomes exact when the impurity is localized. Moreover, we show that such an ansatz compares well with a semiclassical estimate of the propagation amplitude of a mobile impurity in the BEC. Our technique can be extended to cases when both initial and final impurity states are interacting with the BEC.
Pressure Oscillations in Adiabatic Compression
ERIC Educational Resources Information Center
Stout, Roland
2011-01-01
After finding Moloney and McGarvey's modified adiabatic compression apparatus, I decided to insert this experiment into my physical chemistry laboratory at the last minute, replacing a problematic experiment. With insufficient time to build the apparatus, we placed a bottle between two thick textbooks and compressed it with a third textbook forced…
Adiabatic dynamics of magnetic vortices
NASA Astrophysics Data System (ADS)
Papanicolaou, N.
1994-03-01
We formulate a reasonably detailed adiabatic conjecture concerning the dynamics of skew deflection of magnetic vortices in a field gradient, which is expected to be valid at sufficiently large values of the winding number. The conjecture is consistent with the golden rule used to describe the dynamics of realistic magnetic bubbles and is verified here numerically within the 2-D isotropic Heisenberg model.
Novel, discontinuous polaron transition in a two-band model
NASA Astrophysics Data System (ADS)
Moeller, Mirko M.; Sawatzky, George A.; Berciu, Mona
The coupling of charge carriers (electrons or holes) to phonons leads to the formation of a polaron, a coherent quasi-particle consisting of the charge carrier and the cloud of phonons surrounding it and moving coherently with it. Here we present exact diagonalization and momentum average approximation results for the single polaron properties of a two-band model with phonon modulated hopping, inspired by the perovskite BaBiO3. For large coupling we find that the ground state momentum changes discontinuously from k = π to k = 0 . Such sharp transitions of the polaron's ground state properties cannot occur in the well-studied models of the Holstein or Fröhlich type in which the carrier-phonon coupling modulates the on-site energies. However, they can occur in models where the carrier-phonon coupling modulates the hopping integrals such as the SSH model for which a similar yet smooth transition of the ground state momentum was recently shown to exist. We compare our findings to the SSH model and point out qualitative differences which we believe to be due to the two band nature of our model versus the single band SSH model. This work was supported by NSERC, QMI and the UBC 4YF.
Transitionless driving on adiabatic search algorithm
Oh, Sangchul; Kais, Sabre
2014-12-14
We study quantum dynamics of the adiabatic search algorithm with the equivalent two-level system. Its adiabatic and non-adiabatic evolution is studied and visualized as trajectories of Bloch vectors on a Bloch sphere. We find the change in the non-adiabatic transition probability from exponential decay for the short running time to inverse-square decay in asymptotic running time. The scaling of the critical running time is expressed in terms of the Lambert W function. We derive the transitionless driving Hamiltonian for the adiabatic search algorithm, which makes a quantum state follow the adiabatic path. We demonstrate that a uniform transitionless driving Hamiltonian, approximate to the exact time-dependent driving Hamiltonian, can alter the non-adiabatic transition probability from the inverse square decay to the inverse fourth power decay with the running time. This may open up a new but simple way of speeding up adiabatic quantum dynamics.
Transitionless driving on adiabatic search algorithm
NASA Astrophysics Data System (ADS)
Oh, Sangchul; Kais, Sabre
2014-12-01
We study quantum dynamics of the adiabatic search algorithm with the equivalent two-level system. Its adiabatic and non-adiabatic evolution is studied and visualized as trajectories of Bloch vectors on a Bloch sphere. We find the change in the non-adiabatic transition probability from exponential decay for the short running time to inverse-square decay in asymptotic running time. The scaling of the critical running time is expressed in terms of the Lambert W function. We derive the transitionless driving Hamiltonian for the adiabatic search algorithm, which makes a quantum state follow the adiabatic path. We demonstrate that a uniform transitionless driving Hamiltonian, approximate to the exact time-dependent driving Hamiltonian, can alter the non-adiabatic transition probability from the inverse square decay to the inverse fourth power decay with the running time. This may open up a new but simple way of speeding up adiabatic quantum dynamics.
Transitionless driving on adiabatic search algorithm.
Oh, Sangchul; Kais, Sabre
2014-12-14
We study quantum dynamics of the adiabatic search algorithm with the equivalent two-level system. Its adiabatic and non-adiabatic evolution is studied and visualized as trajectories of Bloch vectors on a Bloch sphere. We find the change in the non-adiabatic transition probability from exponential decay for the short running time to inverse-square decay in asymptotic running time. The scaling of the critical running time is expressed in terms of the Lambert W function. We derive the transitionless driving Hamiltonian for the adiabatic search algorithm, which makes a quantum state follow the adiabatic path. We demonstrate that a uniform transitionless driving Hamiltonian, approximate to the exact time-dependent driving Hamiltonian, can alter the non-adiabatic transition probability from the inverse square decay to the inverse fourth power decay with the running time. This may open up a new but simple way of speeding up adiabatic quantum dynamics. PMID:25494733
Studies in Chaotic adiabatic dynamics
Jarzynski, C.
1994-01-01
Chaotic adiabatic dynamics refers to the study of systems exhibiting chaotic evolution under slowly time-dependent equations of motion. In this dissertation the author restricts his attention to Hamiltonian chaotic adiabatic systems. The results presented are organized around a central theme, namely, that the energies of such systems evolve diffusively. He begins with a general analysis, in which he motivates and derives a Fokker-Planck equation governing this process of energy diffusion. He applies this equation to study the {open_quotes}goodness{close_quotes} of an adiabatic invariant associated with chaotic motion. This formalism is then applied to two specific examples. The first is that of a gas of noninteracting point particles inside a hard container that deforms slowly with time. Both the two- and three-dimensional cases are considered. The results are discussed in the context of the Wall Formula for one-body dissipation in nuclear physics, and it is shown that such a gas approaches, asymptotically with time, an exponential velocity distribution. The second example involves the Fermi mechanism for the acceleration of cosmic rays. Explicit evolution equations are obtained for the distribution of cosmic ray energies within this model, and the steady-state energy distribution that arises when this equation is modified to account for the injection and removal of cosmic rays is discussed. Finally, the author re-examines the multiple-time-scale approach as applied to the study of phase space evolution under a chaotic adiabatic Hamiltonian. This leads to a more rigorous derivation of the above-mentioned Fokker-Planck equation, and also to a new term which has relevance to the problem of chaotic adiabatic reaction forces (the forces acting on slow, heavy degrees of freedom due to their coupling to light, fast chaotic degrees).
Exciton and polaron interactions in self-assembled conjugated polymer aggregates
NASA Astrophysics Data System (ADS)
Grey, John K.; Thomas, Alan K.; Gao, Jian
2015-08-01
We study exciton coupling and interconversion between neutral and charged states of different spin in pi-stacked conjugated polymer aggregates. Rigorous self-assembly approaches are used to prepare aggregate nanofibers that permit reliable control of polymer chain conformational and packing (intra- and interchain) order within these structures. Exciton coupling can be tuned between the H- and J-aggregate limits, which has important implications for determining the fates of excitons and polarons. Single molecule intensity modulation spectroscopy was performed on individual nanofibers and large quenching depths of emissive singlet excitons by triplets are found in J-aggregate type structures. We propose that high intrachain order leads to exciton delocalization that effectively lowers singlet-triplet energy splittings thus increasing triplet yields. Exciton-polaron and polaron-polaron interactions are next investigated in both H- and J-type nanofibers where polarons are injected by charge transfer doping. We find that the enhanced intrachain order of J-aggregates enables efficient intrachain polaron transport and leads to significantly larger doping efficiencies than less ordered H-aggregates. As polaron densities increase, signatures of spin-spin interactions between polarons on adjacent chains become appreciable leading to the formation of a spinless bipolaron. Overall, these studies demonstrate the potential for controlling and directing exciton and polaron interactions via tuning of subtle intra- and interchain ordering characteristics of aggregates, which could benefit various polymeric optoelectronic applications.
Observation of Fermi Polarons in a Tunable Fermi Liquid of Ultracold Atoms
Schirotzek, Andre; Wu, C.-H.; Sommer, Ariel; Zwierlein, Martin W.
2009-06-12
We have observed Fermi polarons, dressed spin-down impurities in a spin-up Fermi sea of ultracold atoms. The polaron manifests itself as a narrow peak in the impurities' rf spectrum that emerges from a broad incoherent background. We determine the polaron energy and the quasiparticle residue for various interaction strengths around a Feshbach resonance. At a critical interaction, we observe the transition from polaronic to molecular binding. Here, the imbalanced Fermi liquid undergoes a phase transition into a Bose liquid, coexisting with a Fermi sea.
Polaron conductivity mechanism in potassium acid phthalate crystal: AC-conductivity investigation
NASA Astrophysics Data System (ADS)
Filipič, Cene; Levstik, Iva; Levstik, Adrijan; Hadži, Dušan
2016-08-01
The complex dielectric constant, \\varepsilon *(ν ,T), of potassium acid phthalate monocrystal (KAP) was investigated over the broad frequency and temperature range. While the imaginary part of dielectric constant ε‧‧(ν) increases rapidly with increasing temperature in the studied temperature range, the real part of dielectric constant ε‧(ν) increases only at high temperatures; there is almost no change of ε‧(ν) below 200 K. Both values of ε‧ and ε‧‧ are frequency dependent; the values increase with decreasing frequencies. At temperatures below 450 K the ac electrical conductivity and dielectric constant follow simultaneously the universal dielectric response (UDR). The analysis of the temperature dependence of the UDR parameter s in terms of the theoretical model for small polarons revealed that this mechanism governs the charge transport in KAP crystal in the studied temperature range.
Inertial effects in adiabatically driven flashing ratchets
NASA Astrophysics Data System (ADS)
Rozenbaum, Viktor M.; Makhnovskii, Yurii A.; Shapochkina, Irina V.; Sheu, Sheh-Yi; Yang, Dah-Yen; Lin, Sheng Hsien
2014-05-01
We study analytically the effect of a small inertial correction on the properties of adiabatically driven flashing ratchets. Parrondo's lemma [J. M. R. Parrondo, Phys. Rev. E 57, 7297 (1998), 10.1103/PhysRevE.57.7297] is generalized to include the inertial term so as to establish the symmetry conditions allowing directed motion (other than in the overdamped massless case) and to obtain a high-temperature expansion of the motion velocity for arbitrary potential profiles. The inertial correction is thus shown to enhance the ratchet effect at all temperatures for sawtooth potentials and at high temperatures for simple potentials described by the first two harmonics. With the special choice of potentials represented by at least the first three harmonics, the correction gives rise to the motion reversal in the high-temperature region. In the low-temperature region, inertia weakens the ratchet effect, with the exception of the on-off model, where diffusion is important. The directed motion adiabatically driven by potential sign fluctuations, though forbidden in the overdamped limit, becomes possible due to purely inertial effects in neither symmetric nor antisymmetric potentials, i.e., not for commonly used sawtooth and two-sinusoid profiles.
Robust adiabatic sum frequency conversion.
Suchowski, Haim; Prabhudesai, Vaibhav; Oron, Dan; Arie, Ady; Silberberg, Yaron
2009-07-20
We discuss theoretically and demonstrate experimentally the robustness of the adiabatic sum frequency conversion method. This technique, borrowed from an analogous scheme of robust population transfer in atomic physics and nuclear magnetic resonance, enables the achievement of nearly full frequency conversion in a sum frequency generation process for a bandwidth up to two orders of magnitude wider than in conventional conversion schemes. We show that this scheme is robust to variations in the parameters of both the nonlinear crystal and of the incoming light. These include the crystal temperature, the frequency of the incoming field, the pump intensity, the crystal length and the angle of incidence. Also, we show that this extremely broad bandwidth can be tuned to higher or lower central wavelengths by changing either the pump frequency or the crystal temperature. The detailed study of the properties of this converter is done using the Landau-Zener theory dealing with the adiabatic transitions in two level systems. PMID:19654679
Adiabaticity in open quantum systems
NASA Astrophysics Data System (ADS)
Venuti, Lorenzo Campos; Albash, Tameem; Lidar, Daniel A.; Zanardi, Paolo
2016-03-01
We provide a rigorous generalization of the quantum adiabatic theorem for open systems described by a Markovian master equation with time-dependent Liouvillian L (t ) . We focus on the finite system case relevant for adiabatic quantum computing and quantum annealing. Adiabaticity is defined in terms of closeness to the instantaneous steady state. While the general result is conceptually similar to the closed-system case, there are important differences. Namely, a system initialized in the zero-eigenvalue eigenspace of L (t ) will remain in this eigenspace with a deviation that is inversely proportional to the total evolution time T . In the case of a finite number of level crossings, the scaling becomes T-η with an exponent η that we relate to the rate of the gap closing. For master equations that describe relaxation to thermal equilibrium, we show that the evolution time T should be long compared to the corresponding minimum inverse gap squared of L (t ) . Our results are illustrated with several examples.
Does temperature increase or decrease in adiabatic decompression of magma?
NASA Astrophysics Data System (ADS)
Kilinc, A. I.; Ghiorso, M. S.; Khan, T.
2011-12-01
We have modeled adiabatic decompression of an andesitic and a basaltic magma as an isentropic process using the Melts algorithm. Our modeling shows that during adiabatic decompression temperature of andesitic magma increases but temperature of basaltic magma decreases. In an isentropic process entropy is constant so change of temperature with pressure can be written as dT/dP=T (dV/dT)/Cp where T (dV/dT)/Cp is generally positive. If delta P is negative so is delta T. In general, in the absence of phase change, we expect the temperature to decrease with adiabatic decompression. The effect of crystallization is to turn a more entropic phase (liquid) into a less entropic phase (solid), which must be compensated by raising the temperature. If during adiabatic decompression there is small amount or no crystallization, T (dV/dT)/Cp effect which lowers the temperature overwhelms the small amount of crystallization, which raises the temperature, and overall system temperature decreases.
NASA Astrophysics Data System (ADS)
Li, Dafa
2016-05-01
The adiabatic theorem was proposed about 90 years ago and has played an important role in quantum physics. The quantitative adiabatic condition constructed from eigenstates and eigenvalues of a Hamiltonian is a traditional tool to estimate adiabaticity and has proven to be the necessary and sufficient condition for adiabaticity. However, recently the condition has become a controversial subject. In this paper, we list some expressions to estimate the validity of the adiabatic approximation. We show that the quantitative adiabatic condition is invalid for the adiabatic approximation via the Euclidean distance between the adiabatic state and the evolution state. Furthermore, we deduce general necessary and sufficient conditions for the validity of the adiabatic approximation by different definitions.
Number Partitioning via Quantum Adiabatic Computation
NASA Technical Reports Server (NTRS)
Smelyanskiy, Vadim N.; Toussaint, Udo; Clancy, Daniel (Technical Monitor)
2002-01-01
We study both analytically and numerically the complexity of the adiabatic quantum evolution algorithm applied to random instances of combinatorial optimization problems. We use as an example the NP-complete set partition problem and obtain an asymptotic expression for the minimal gap separating the ground and exited states of a system during the execution of the algorithm. We show that for computationally hard problem instances the size of the minimal gap scales exponentially with the problem size. This result is in qualitative agreement with the direct numerical simulation of the algorithm for small instances of the set partition problem. We describe the statistical properties of the optimization problem that are responsible for the exponential behavior of the algorithm.
On uniqueness and non-degeneracy of anisotropic polarons
NASA Astrophysics Data System (ADS)
Ricaud, Julien
2016-05-01
We study the anisotropic Choquard-Pekar equation which describes a polaron in an anisotropic medium. We prove the uniqueness and non-degeneracy of minimizers in a weakly anisotropic medium. In addition, for a wide range of anisotropic media, we derive the symmetry properties of minimizers and prove that the kernel of the associated linearized operator is reduced, apart from three functions coming from the translation invariance, to the kernel on the subspace of functions that are even in each of the three principal directions of the medium.
On the LO-polaron dispersion in D dimensions
NASA Astrophysics Data System (ADS)
Gerlach, B.; Kalina, F.; Smondyrev, M.
2003-05-01
We discuss the (LO)polaron dispersion for arbitrary spatial dimension D. Firstly, we review the existing literature; recent numerical work is critically analyzed. Secondly, we derive novel upper bounds for the dispersion, which incorporate the correct behaviour of the dispersion up to third order of the coupling constant . A totally analytical evaluation is performed in the case D = 1. We compare the upper bounds with previously published lower bounds. Apart from a surrounding of zero dispersion, the relative deviation is on a few-percent scale.
The spin-polaron theory of high-Tc superconductivity
NASA Astrophysics Data System (ADS)
Mott, N. F.
1990-01-01
An outline is given of the model for some high-temperature superconductors which assumes that the carriers are holes in the (hybridized) oxygen 2p band and form ‘spin polarons’ with the moments on the copper atoms. A comparison is made with observations of spin polarons in Gd3-xvxS4 and with the properties of La1-xSrxVO3 in relation to those of La2-xSrxCuO4. It is assumed, following several authors, that in the superconductors the polarons form bipolarons, which are bosons, and a comparison is made with some other treatments of this hypothesis. It is proposed that in many such superconductors the boson, essentially a pair of these holes, moves in an impurity band, and that normally all the polarons (fermions) form bipolarons; the fermions repel each other on the same site (positive Hubbard U) but attract when on adjacent sites; the critical temperature Tc is then that at which the Bose gas becomes non-degenerate. In such materials a non-degenerate gas of bosons would carry the current above Tc as first suggested by Alexandrov et al. (1986). The linear increase in the resistivity above Tc is explained on this hypothesis. The effective mass of the bipolaron is, we believe, large (˜20 30me). The copper 3d9 moments in the superconducting range resonate between their two orientations as a consequence of the motion of the carriers, as they do in the description by Brinkman and Rice (1970) of highly correlated metals. Spin polarons, we believe, form only when this is so, but not in the antiferromagnetic range of x. A discussion is given of the resistivity above Tc, thermopower above Tc, and of the nature of the superconducting gap as shown by tunnelling. We confine our discussion to the materials containing copper, excluding for instance cubic Ba1-xKxBiO3, and possibly any superconductor containing bismuth, where the bosons may be Bi3+.
NASA Astrophysics Data System (ADS)
Bednarski, Henryk
2014-01-01
We present a detailed analysis of the role of various interaction mechanisms contributing to the bound magnetic polaron (BMP) molecule Hamiltonian with the purpose of gaining an insight into the origin of the ferromagnetic interaction between BMPs. Explicitly, it appears that the BMP molecule Hamiltonian without interatomic direct exchange interaction does not lead to appearance of the parallel alignment of polaronic clouds in the lowest energy state even for large magnitudes of the polaronic exchange fields (up to ~65 meV in Cd0.95Mn0.05Se). Also, it appears that for the range of moderate values of polaronic exchange fields (16-25 meV in Cd0.95Mn0.05Se), the regular Hubbard BMP pair Hamiltonian must be supplemented with the direct interatomic (Heisenberg) exchange interaction to form a minimal model Hamiltonian of BMP molecule with the parallel alignment of the polaronic clouds in the lowest energy state.
Adiabatic Wankel type rotary engine
NASA Technical Reports Server (NTRS)
Kamo, R.; Badgley, P.; Doup, D.
1988-01-01
This SBIR Phase program accomplished the objective of advancing the technology of the Wankel type rotary engine for aircraft applications through the use of adiabatic engine technology. Based on the results of this program, technology is in place to provide a rotor and side and intermediate housings with thermal barrier coatings. A detailed cycle analysis of the NASA 1007R Direct Injection Stratified Charge (DISC) rotary engine was performed which concluded that applying thermal barrier coatings to the rotor should be successful and that it was unlikely that the rotor housing could be successfully run with thermal barrier coatings as the thermal stresses were extensive.
Non-adiabatic corrections to the quasiparticle self-energy
NASA Astrophysics Data System (ADS)
Danylenko, Oleksiy V.; Dolgov, Oleg V.; Losyakov, Vladimir V.
1996-02-01
High T c superconductors and fullerenes seem to be characterized by very small bandwidths of the order of phonon frequencies. This may imply a breakdown of Migdal's theorem for the electron self-energy. There are two different approaches to the problem. The gauge-invariant self-consistent method proposed by Y. Takada includes many vertex corrections using the Ward identity. The other method by C. Grimaldi, L. Pietronero and S. Strässler (GPS) based on Migdal's idea uses the first correction to the unit vertex. These two approaches have been compared and the main results are the following: 1) Takada's method for the self-energy gives incorrect order in the Migdal parameter λΩ ph /ɛ F , 2) in GPS's method the momentum cut-off offered by the authors cannot be used as a free parameter, and 3) there is a possible instability which can be ascribed to appearing of polaron states.
Polaronic effects in monolayer black phosphorus on polar substrates
NASA Astrophysics Data System (ADS)
Mogulkoc, A.; Mogulkoc, Y.; Rudenko, A. N.; Katsnelson, M. I.
2016-02-01
We investigate the effect of charge carrier interaction with surface optical phonons on the band properties of monolayer black phosphorus induced by polar substrates. We develop an analytical method based on the Lee-Low-Pines theory to calculate the spectrum of Fröhlich type continuum Hamiltonian in the long-wavelength limit. We examine the modification of a band gap and renormalization of effective masses due to the substrate-related polaronic effect. Our results show that an energy gap in supported monolayer black phosphorus is enlarged depending on a particular substrate and the interlayer distance z . Among the substrate considered, the largest gap broadening at z =2.5 Å is observed for the Al2O3 substrate, which is found to be ˜50 meV. Carrier-phonon coupling also renormalizes the effective masses which is more pronounced along the zigzag direction. Anisotropy of the effective masses becomes stronger by the influence of the polaronic effect corresponding to direction-dependent carrier-phonon coupling. We conclude that substrate phonons have a non-negligible effect on the static band properties of monolayer black phosphorus, which may be further exploited in its experimental and theoretical studies.
Influence of lithium vacancies on the polaronic transport in olivine phosphate structure
NASA Astrophysics Data System (ADS)
Murugavel, Sevi; Sharma, Monika; Shahid, Raza
2016-01-01
Intercalation and deintercalation of lithium ions in cathode materials are of principal to the operation of current rechargeable lithium ion batteries. The performance of lithium ion batteries highly relies on the active cathode material which includes cell potential, power/energy density, capacity, etc. An important issue in this class of material is to resolve the factors governing the electron and ion transport in olivine phosphate structure. In this class of material, there is still an open debate on the mechanism of charge transport including both polarons and lithium ions. On the one hand, this is due to the large disparity between the experimental results and the theoretical model predictions. On the other hand, this is also due to the lack of precise experimental measurement without any parasitic phases in a given cathode material. Here, we present the polaronic conduction in lithiated triphylite LiFePO4 (LFP) and delithiated heterosite FePO4 (FP) by means of broadband ac impedance spectroscopy over wide range temperatures and frequency. It is found that the LFP phase possess two orders of higher polaronic conductivity than FP phase despite having similar mobility of polarons in both phases. We show that the differences in the polaronic conductivity of two phases are due to the significant differences in concentration of polarons. It is found that the formation energy of polarons in individual phases is mainly determined by the corresponding defect state associated with it. The temperature dependent dc conductivity has been analyzed within the framework of Mott model of polaronic conduction and explored the origin of polaronic conduction mechanism in this class of material.
Spin polarization of polaron in quasi-one dimensional organic system
NASA Astrophysics Data System (ADS)
Jiang, Hong; Zhang, Chao; Hu, Xuening; Hu, Guichao; Xie, Shijie
2015-01-01
The spin polarization of polarons in quasi-1D organic materials has been investigated by using the extended Su-Schrieffer-Heeger (SSH) model with spin-orbit coupling. Results show that the polaron is partly spin polarized, and that the electron-electron interaction and spin-orbit coupling compete with each other during the formation of spin polarization. The dependence of spin polarization on electron-phonon coupling is also revealed. Our results demonstrate that spin polarization is well correlated with polaron localization, thus providing useful guidance for exploring magnetic effects in organic materials.
NASA Astrophysics Data System (ADS)
Shchadilova, Yulia E.; Grusdt, Fabian; Rubtsov, Alexey N.; Demler, Eugene
2016-04-01
We propose a class of variational Gaussian wave functions to describe Fröhlich polarons at finite momenta. Our wave functions give polaron energies that are in excellent agreement with the existing Monte Carlo results for a broad range of interactions. We calculate the effective mass of polarons and find smooth crossover between weak- and intermediate-coupling strength. Effective masses that we obtain are considerably larger than those predicted by the mean-field method. A prediction based on our variational wave functions is a special pattern of correlations between host atoms that can be measured in time-of-flight experiments.
Degenerate adiabatic perturbation theory: Foundations and applications
NASA Astrophysics Data System (ADS)
Rigolin, Gustavo; Ortiz, Gerardo
2014-08-01
We present details and expand on the framework leading to the recently introduced degenerate adiabatic perturbation theory [Phys. Rev. Lett. 104, 170406 (2010), 10.1103/PhysRevLett.104.170406], and on the formulation of the degenerate adiabatic theorem, along with its necessary and sufficient conditions [given in Phys. Rev. A 85, 062111 (2012), 10.1103/PhysRevA.85.062111]. We start with the adiabatic approximation for degenerate Hamiltonians that paves the way to a clear and rigorous statement of the associated degenerate adiabatic theorem, where the non-Abelian geometric phase (Wilczek-Zee phase) plays a central role to its quantitative formulation. We then describe the degenerate adiabatic perturbation theory, whose zeroth-order term is the degenerate adiabatic approximation, in its full generality. The parameter in the perturbative power-series expansion of the time-dependent wave function is directly associated to the inverse of the time it takes to drive the system from its initial to its final state. With the aid of the degenerate adiabatic perturbation theory we obtain rigorous necessary and sufficient conditions for the validity of the adiabatic theorem of quantum mechanics. Finally, to illustrate the power and wide scope of the methodology, we apply the framework to a degenerate Hamiltonian, whose closed-form time-dependent wave function is derived exactly, and also to other nonexactly solvable Hamiltonians whose solutions are numerically computed.
Shortcut to adiabatic gate teleportation
NASA Astrophysics Data System (ADS)
Santos, Alan C.; Silva, Raphael D.; Sarandy, Marcelo S.
2016-01-01
We introduce a shortcut to the adiabatic gate teleportation model of quantum computation. More specifically, we determine fast local counterdiabatic Hamiltonians able to implement teleportation as a universal computational primitive. In this scenario, we provide the counterdiabatic driving for arbitrary n -qubit gates, which allows to achieve universality through a variety of gate sets. Remarkably, our approach maps the superadiabatic Hamiltonian HSA for an arbitrary n -qubit gate teleportation into the implementation of a rotated superadiabatic dynamics of an n -qubit state teleportation. This result is rather general, with the speed of the evolution only dictated by the quantum speed limit. In particular, we analyze the energetic cost for different Hamiltonian interpolations in the context of the energy-time complementarity.
Quantum gates with controlled adiabatic evolutions
NASA Astrophysics Data System (ADS)
Hen, Itay
2015-02-01
We introduce a class of quantum adiabatic evolutions that we claim may be interpreted as the equivalents of the unitary gates of the quantum gate model. We argue that these gates form a universal set and may therefore be used as building blocks in the construction of arbitrary "adiabatic circuits," analogously to the manner in which gates are used in the circuit model. One implication of the above construction is that arbitrary classical boolean circuits as well as gate model circuits may be directly translated to adiabatic algorithms with no additional resources or complexities. We show that while these adiabatic algorithms fail to exhibit certain aspects of the inherent fault tolerance of traditional quantum adiabatic algorithms, they may have certain other experimental advantages acting as quantum gates.
On a Nonlinear Model in Adiabatic Evolutions
NASA Astrophysics Data System (ADS)
Sun, Jie; Lu, Song-Feng
2016-08-01
In this paper, we study a kind of nonlinear model of adiabatic evolution in quantum search problem. As will be seen here, for this problem, there always exists a possibility that this nonlinear model can successfully solve the problem, while the linear model can not. Also in the same setting, when the overlap between the initial state and the final stare is sufficiently large, a simple linear adiabatic evolution can achieve O(1) time efficiency, but infinite time complexity for the nonlinear model of adiabatic evolution is needed. This tells us, it is not always a wise choice to use nonlinear interpolations in adiabatic algorithms. Sometimes, simple linear adiabatic evolutions may be sufficient for using. Supported by the National Natural Science Foundation of China under Grant Nos. 61402188 and 61173050. The first author also gratefully acknowledges the support from the China Postdoctoral Science Foundation under Grant No. 2014M552041
Polaron formation in the vicinity of a narrow Feshbach resonance
NASA Astrophysics Data System (ADS)
Casteels, W.; Wouters, M.
2014-10-01
The polaronic system consisting of an impurity in a dilute Bose-Einstein condensate is considered in the presence of a narrow Feshbach resonance. For this purpose a coupled-channel model is used, which at the mean-field level predicts the formation of quasiparticles that are a superposition of the impurity and the molecular states. The impurity-boson interactions and the coupling between the open and closed channels are then considered weak and a perturbative calculation of the corrections to the mean-field results is presented. This allows us to examine the properties of the quasiparticles, such as the lifetime and the effective mass. The relation between the model parameters and the experimental parameters is determined by identifying the low-energy T matrix and applying a proper renormalization scheme.
Study of spin-polaron formation in 1D systems
Arredondo, Y.; Navarro, O.; Vallejo, E.
2014-05-15
We study numerically the formation of spin-polarons in low-dimensional systems. We consider a ferromagnetic Kondo lattice model with Hund coupling J{sub H} and localized spins interacting antiferromagnetically with coupling constant J. We investigate the ground state phase diagram as a function of the exchange couplings J{sub H} and J and as a function of the band filling, since it has been observed that doping either on the ferromagnetic or antiferromagnetic regime lead to formation of magnetic domains [1]. We explore the quasi-particle formation and phase separation using the density-matrix renormalization group method, which is a highly efficient method to investigate quasi-one-dimensional strongly correlated systems.
Radio frequency spectroscopy of polarons in ultracold Bose gases
NASA Astrophysics Data System (ADS)
Shashi, Aditya; Grusdt, Fabian; Abanin, Dmitry; Demler, Eugene
2014-05-01
Recent experimental advances enabled the realization of mobile impurities immersed in a Bose-Einstein condensate (BEC) of ultracold atoms. We consider impurities with two or more internal hyperfine states, and study their radio-frequency (RF) absorption spectra, which correspond to transitions between two different hyperfine states. We calculate RF spectra for the case when one of the hyperfine states involved interacts with the BEC, while the other state is non-interacting, by performing a non-perturbative resummation of the probabilities of exciting different numbers of phonon modes. We discuss both the direct RF measurement, in which the impurity is initially in an interacting state, and the inverse RF measurement, in which the impurity is initially in a non-interacting state. In the latter case, in order to calculate the RF spectrum, we solve the problem of polaron formation: a mobile impurity dynamically gets dressed by Bogoliubov phonons, using a time-dependent variational ansatz of coherent states.
Design of the PIXIE Adiabatic Demagnetization Refrigerators
NASA Technical Reports Server (NTRS)
Shirron, Peter J.; Kimball, Mark Oliver; Fixsen, Dale J.; Kogut, Alan J.; Li, Xiaoyi; DiPirro, Michael
2012-01-01
The Primordial Inflation Explorer (PIXIE) is a proposed mission to densely map the polarization of the cosmic microwave background. It will operate in a scanning mode from a sun-synchronous orbit, using low temperature detectors (at 0.1 K) and located inside a teslescope that is cooled to approximately 2.73 K - to match the background temperature. A mechanical cryocooler operating at 4.5 K establishes a low base temperature from which two adiabatic demagnetization refrigerator (ADR) assemblies will cool the telescope and detectors. To achieve continuous scanning capability, the ADRs must operate continuously. Complicating the design are two factors: 1) the need to systematically vary the temperature of various telescope components in order to separate the small polarization signal variations from those that may arise from temperature drifts and changing gradients within the telescope, and 2) the orbital and monthly variations in lunar irradiance into the telescope barrels. These factors require the telescope ADR to reject quasi-continuous heat loads of 2-3 millwatts, while maintaining a peak heat reject rate of less than 12 milliwatts. The detector heat load at 0.1 K is comparatively small at 1-2 microwatts. This paper will describe the 3-stage and 2-stage continuous ADRs that will be used to meet the cooling power and temperature stability requirements of the PIXIE detectors and telescope.
Design of the PIXIE adiabatic demagnetization refrigerators
NASA Astrophysics Data System (ADS)
Shirron, Peter J.; Kimball, Mark O.; Fixsen, Dale J.; Kogut, Alan J.; Li, Xiaoyi; DiPirro, Michael J.
2012-04-01
The Primordial Inflation Explorer (PIXIE) is a proposed mission to densely map the polarization of the cosmic microwave background. It will operate in a scanning mode from a sun-synchronous orbit, using low temperature detectors (at 0.1 K) and located inside a telescope that is cooled to approximately 2.73 K - to match the background temperature. A mechanical cryocooler operating at 4.5 K establishes a low base temperature from which two adiabatic demagnetization refrigerator (ADR) assemblies will cool the telescope and detectors. To achieve continuous scanning capability, the ADRs must operate continuously. Complicating the design are two factors: (1) the need to systematically vary the temperature of various telescope components in order to separate the small polarization signal variations from those that may arise from temperature drifts and changing gradients within the telescope, and (2) the orbital and monthly variations in lunar irradiance into the telescope barrels. These factors require the telescope ADR to reject quasi-continuous heat loads of 2-3 mW, while maintaining a peak heat reject rate of less than 12 mW. The detector heat load at 0.1 K is comparatively small at 1-2 μW. This paper will describe the 3-stage and 2-stage continuous ADRs that will be used to meet the cooling power and temperature stability requirements of the PIXIE detectors and telescope.
Hybrid functional studies of defects and hole polarons in oxides
NASA Astrophysics Data System (ADS)
Varley, Joel
Transparent conducting oxides (TCOs) are ubiquitous, appearing in windows, flat-panel displays, solar cells, solid-state lighting, and transistors that all exploit TCOs' combination of high electrical conductivity and optical transparency. Thanks to this large and growing list of applications, there has been a surge of interest in the science of these materials, focusing on the fundamental properties and doping opportunities in traditional TCOs as well as the exploration of promising new candidate materials. Hybrid density functional theory has proven instrumental in elucidating the physics of TCOs. One example is the study of dopants and defects that determine the conductivity. Accurate formation energies and charge-state transition levels can now be obtained thanks to the accurate electronic structure provided by a hybrid functional. This allows us to address the origins of unintentional conductivity: for SnO2, In2O3, and Ga2O3, we demonstrate that this is not due to native defects such as oxygen vacancies, but must be attributed to unintentional incorporation of impurities. We can also provide guidelines for achieving higher doping levels, suggesting several impurities as candidate donors with high solubility. Limitations on doping due to the formation or incorporation of compensating centers are addressed as well. Hybrid functional calculations also overcome the shortcomings associated with traditional local or semi-local functionals, which do not properly describe charge localization. Hybrid functionals accurately describe polaron formation, i.e., the self-trapping of holes when p - type doping of the oxide materials is attempted. Consequences of polaron formation for optical characterization of the material will be discussed. This work was performed in collaboration with Anderson Janotti and Chris G. Van de Walle, and was in part under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.
Polaron-electron assisted giant dielectric dispersion in SrZrO3 high-k dielectric
NASA Astrophysics Data System (ADS)
Borkar, Hitesh; Barvat, Arun; Pal, Prabir; Shukla, A. K.; Pulikkotil, J. J.; Kumar, Ashok
2016-06-01
The SrZrO3 is a well known high-k dielectric constant (˜22) and high optical bandgap (˜5.8 eV) material and one of the potential candidates for future generation nanoelectronic logic elements (8 nm node technology) beyond silicon. Its dielectric behavior is fairly robust and frequency independent till 470 K; however, it suffers a strong small-polaron based electronic phase transition (Te) linking 650 to 750 K. The impedance spectroscopy measurements revealed the presence of conducting grains and grain boundaries at elevated temperature which provide energetic mobile charge carriers with activation energy in the range of 0.7 to 1.2 eV supporting the oxygen ions and proton conduction. X-ray photoemission spectroscopy measurements suggest the presence of weak non-stoichiometric O2- anions and hydroxyl species bound to different sites at the surface and bulk. These thermally activated charge carriers at elevated temperature significantly contribute to the polaronic based dielectric anomaly and conductivity. Our dielectric anomaly supports pseudo phase transition due to high degree of change in ZrO6 octahedral angle in the temperature range of 650-750 K, where electron density and phonon vibration affect the dielectric and conductivity properties.
Kispert, L.D.; Joseph, J.; Miller, G.G.; Baughman, R.H.
1984-08-15
EPR measurements are used to characterize electronic states relevant for carrier transport in alkali metal doped poly(p-phenylene), PPP, fully deuterated poly(p-phenylene), DPPP, and phenylene oligomers. Observed spin concentrations per carbon are at least one decade higher than the Curie spin concentration for Na-doped polyacetylene. The number of these spins, which likely corresponds to polarons (mobile radical anions), is much less than the amount of alkali metal dopant, suggesting that much of the charge on the polymer chains is in bipolarons (spinless dianions). Relevant to the interaction between spins on the polymer chain and the metal cations, the observed g values are close to the free electron value and do not substantially vary with the donor dopant, temperature, or the molecular weight of the phenylene chain. Although the spin-orbit effect on g values is small, room temperature linewidth tends to increase with increasing atomic number of dopant: suggesting some interaction, albeit a smaller magnitude effect than for alkali-metal graphite complexes. The EPR linewidths are exchange narrowed and proton hyperfine broadening is significant. The latter explains the generally broader linewidths for doped PPP than for doped DPPP. The measured susceptibilities have a temperature dependence which suggests equilibrium between separated polaron defects and singlet and triplet spin states formed intermolecularly via polaron pairing. The interaction is antiferromagnetic and the binding energy between polarons is about 2.2 to 3.3 meV. An upper limit estimate of the Fermi-surface density of states for K-doped PPP (0.7 states/eV phenyl) is derived from an upper limit estimate of Pauli susceptibility.
NASA Astrophysics Data System (ADS)
Tiwari, Mukesh
In this thesis, we investigate some topics of transport in classical and quantum systems. The classical system under study is related to friction at the nanoscale. The first model we consider is that of a dimer moving on a 1-dimensional periodic substrate; we study the role of an internal channel of dissipation on the effective damping experienced by the dimer during its motion. With the view that understanding of the processes at the microscopic scale can shed some light on the origin of frictional forces, we undertake a systematic study of the scattering of a free particle by a harmonic oscillator. This study starts from a Hamiltonian description of the system, without any phenomenological damping. The dissipation in this system results from an exchange of energy between the particle and the oscillator when they are in close proximity. This classical scattering problem becomes chaotic as a result of exchange of energy. We present, in detail, a study of the chaotic scattering process for an initially static oscillator. In the case of an initially excited oscillator, extraction of information about the chaotic set requires the construction of Smale horseshoe on an appropriate Poincare surface of section. A discussion on the construction of this chaotic invariant set is also provided in this thesis. Interacting quasiparticle-boson systems form an important part of condensed matter physics. Various approximation schemes are often employed in the study of these systems. In order to understand the response of a quasi-particle to externally applied electric fields, we study in the second part of this thesis, the 2-site quantum dimer under the semiclassical approximation. The role of initial phases and effects of resonance between phonon frequency and the frequency due to the Stark splitting of states is investigated. This thesis also contains discussions regarding the frequency response of both degenerate and nondegenerate adiabatic semiclassical models and self
Light-induced polaron magnetization in EuTe at temperatures reaching 150 K
NASA Astrophysics Data System (ADS)
Henriques, A. B.; Galgano, G. D.; Rappl, P. H. O.; Abramof, E.
2016-05-01
We demonstrate that light creates a highly magnetized region in a magnetic semiconductor far above its critical temperature. A near-gap photon generates a quasiparticle of nonzero magnetic moment, named magnetic polaron, which is constituted by the photoexcited electron and about 1000 spin-polarized lattice atoms surrounding the photoexcited electron. The photoinduced magnetization follows a Langevin function, whose shape uniquely determines the magnetic moment of an individual polaron. In EuTe at 5 K the magnetic moment reaches a giant value of over 500 Bohr magnetons, thus the photoinduced magnetization saturates with a magnetic field of only 50 mT, which characterizes the magnetic polaron system as superparamagnetic. The polaron has an average lifetime of 15 μ s . When temperature is increased its magnetic moment decreases, but at 150 K it still has a large value of about 80 Bohr magnetons. The paramagnet of polarons is fully controlled by light. Because the magnetic polaron affects only spin orientation, but not the charge distribution, in the superparamagnetic state the ideal optical quality of the host semiconductor is preserved.
Adiabatic Compression of Oxygen: Real Fluid Temperatures
NASA Technical Reports Server (NTRS)
Barragan, Michelle; Wilson, D. Bruce; Stoltzfus, Joel M.
2000-01-01
The adiabatic compression of oxygen has been identified as an ignition source for systems operating in enriched oxygen atmospheres. Current practice is to evaluate the temperature rise on compression by treating oxygen as an ideal gas with constant heat capacity. This paper establishes the appropriate thermodynamic analysis for the common occurrence of adiabatic compression of oxygen and in the process defines a satisfactory equation of state (EOS) for oxygen. It uses that EOS to model adiabatic compression as isentropic compression and calculates final temperatures for this system using current approaches for comparison.
Heating and cooling in adiabatic mixing process
NASA Astrophysics Data System (ADS)
Zhou, Jing; Cai, Zi; Zou, Xu-Bo; Guo, Guang-Can
2010-12-01
We study the effect of interaction on the temperature change in the process of adiabatic mixing of two components of Fermi gases using the real-space Bogoliubov-de Gennes method. We find that in the process of adiabatic mixing, the competition between the adiabatic expansion and the attractive interaction makes it possible to cool or heat the system depending on the strength of the interaction and the initial temperature of the system. The changes of the temperature in a bulk system and in a trapped system are investigated.
Multisurface Adiabatic Reactive Molecular Dynamics.
Nagy, Tibor; Yosa Reyes, Juvenal; Meuwly, Markus
2014-04-01
Adiabatic reactive molecular dynamics (ARMD) simulation method is a surface-crossing algorithm for modeling chemical reactions in classical molecular dynamics simulations using empirical force fields. As the ARMD Hamiltonian is time dependent during crossing, it allows only approximate energy conservation. In the current work, the range of applicability of conventional ARMD is explored, and a new multisurface ARMD (MS-ARMD) method is presented, implemented in CHARMM and applied to the vibrationally induced photodissociation of sulfuric acid (H2SO4) in the gas phase. For this, an accurate global potential energy surface (PES) involving 12 H2SO4 and 4 H2O + SO3 force fields fitted to MP2/6-311G++(2d,2p) reference energies is employed. The MS-ARMD simulations conserve total energy and feature both intramolecular H-transfer reactions and water elimination. An analytical treatment of the dynamics in the crossing region finds that conventional ARMD can approximately conserve total energy for limiting cases. In one of them, the reduced mass of the system is large, which often occurs for simulations of solvated biomolecular systems. On the other hand, MS-ARMD is a general approach for modeling chemical reactions including gas-phase, homogeneous, heterogeneous, and enzymatic catalytic reactions while conserving total energy in atomistic simulations. PMID:26580356
Adiabatic limits on Riemannian Heisenberg manifolds
Yakovlev, A A
2008-02-28
An asymptotic formula is obtained for the distribution function of the spectrum of the Laplace operator, in the adiabatic limit for the foliation defined by the orbits of an invariant flow on a compact Riemannian Heisenberg manifold. Bibliography: 21 titles.
Experimental demonstration of composite adiabatic passage
NASA Astrophysics Data System (ADS)
Schraft, Daniel; Halfmann, Thomas; Genov, Genko T.; Vitanov, Nikolay V.
2013-12-01
We report an experimental demonstration of composite adiabatic passage (CAP) for robust and efficient manipulation of two-level systems. The technique represents a altered version of rapid adiabatic passage (RAP), driven by composite sequences of radiation pulses with appropriately chosen phases. We implement CAP with radio-frequency pulses to invert (i.e., to rephase) optically prepared spin coherences in a Pr3+:Y2SiO5 crystal. We perform systematic investigations of the efficiency of CAP and compare the results with conventional π pulses and RAP. The data clearly demonstrate the superior features of CAP with regard to robustness and efficiency, even under conditions of weakly fulfilled adiabaticity. The experimental demonstration of composite sequences to support adiabatic passage is of significant relevance whenever a high efficiency or robustness of coherent excitation processes need to be maintained, e.g., as required in quantum information technology.
An Adiabatic Architecture for Linear Signal Processing
NASA Astrophysics Data System (ADS)
Vollmer, M.; Götze, J.
2005-05-01
Using adiabatic CMOS logic instead of the more traditional static CMOS logic can lower the power consumption of a hardware design. However, the characteristic differences between adiabatic and static logic, such as a four-phase clock, have a far reaching influence on the design itself. These influences are investigated in this paper by adapting a systolic array of CORDIC devices to be implemented adiabatically. We present a means to describe adiabatic logic in VHDL and use it to define the systolic array with precise timing and bit-true calculations. The large pipeline bubbles that occur in a naive version of this array are identified and removed to a large degree. As an example, we demonstrate a parameterization of the CORDIC array that carries out adaptive RLS filtering.
General conditions for quantum adiabatic evolution
Comparat, Daniel
2009-07-15
Adiabaticity occurs when, during its evolution, a physical system remains in the instantaneous eigenstate of the Hamiltonian. Unfortunately, existing results, such as the quantum adiabatic theorem based on a slow down evolution [H({epsilon}t),{epsilon}{yields}0], are insufficient to describe an evolution driven by the Hamiltonian H(t) itself. Here we derive general criteria and exact bounds, for the state and its phase, ensuring an adiabatic evolution for any Hamiltonian H(t). As a corollary, we demonstrate that the commonly used condition of a slow Hamiltonian variation rate, compared to the spectral gap, is indeed sufficient to ensure adiabaticity but only when the Hamiltonian is real and nonoscillating (for instance, containing exponential or polynomial but no sinusoidal functions)
Adiabatic invariance of oscillons/I -balls
NASA Astrophysics Data System (ADS)
Kawasaki, Masahiro; Takahashi, Fuminobu; Takeda, Naoyuki
2015-11-01
Real scalar fields are known to fragment into spatially localized and long-lived solitons called oscillons or I -balls. We prove the adiabatic invariance of the oscillons/I -balls for a potential that allows periodic motion even in the presence of non-negligible spatial gradient energy. We show that such a potential is uniquely determined to be the quadratic one with a logarithmic correction, for which the oscillons/I -balls are absolutely stable. For slightly different forms of the scalar potential dominated by the quadratic one, the oscillons/I -balls are only quasistable, because the adiabatic charge is only approximately conserved. We check the conservation of the adiabatic charge of the I -balls in numerical simulation by slowly varying the coefficient of logarithmic corrections. This unambiguously shows that the longevity of oscillons/I -balls is due to the adiabatic invariance.
Symmetry of the Adiabatic Condition in the Piston Problem
ERIC Educational Resources Information Center
Anacleto, Joaquim; Ferreira, J. M.
2011-01-01
This study addresses a controversial issue in the adiabatic piston problem, namely that of the piston being adiabatic when it is fixed but no longer so when it can move freely. It is shown that this apparent contradiction arises from the usual definition of adiabatic condition. The issue is addressed here by requiring the adiabatic condition to be…
NASA Astrophysics Data System (ADS)
Sadigh, Babak; Erhart, Paul; Ã berg, Daniel
2015-08-01
We conduct a detailed investigation of the polaron self-interaction (pSI) error in standard approximations to the exchange-correlation (XC) functional within density-functional theory (DFT). The pSI leads to delocalization error in the polaron wave function and energy, as calculated from the Kohn-Sham (KS) potential in the native charge state of the polaron. This constitutes the origin of the systematic failure of DFT to describe the polaron formation in band insulators. It is shown that the delocalization error in these systems is, however, largely absent in the KS potential of the closed-shell neutral charge state. This leads to a modification of the DFT total-energy functional that corrects the pSI in the XC functional. The resulting pSIC-DFT method constitutes an accurate parameter-free ab initio methodology for calculating polaron properties in insulators at a computational cost that is orders of magnitude smaller than hybrid XC functionals. Unlike approaches that rely on parametrized localized potentials such as DFT+U , the pSIC-DFT method properly captures both site and bond-centered polaron configurations. This is demonstrated by studying formation and migration of self-trapped holes in alkali halides (bond-centered) as well as self-trapped electrons in an elpasolite compound (site-centered). The pSIC-DFT approach consistently reproduces the results obtained by hybrid XC functionals parametrized by DFT+G0W0 calculations. Finally, we generalize the pSIC approach to hybrid functionals, and show that in stark contrast to conventional hybrid calculations of polaron energies, the pSIC-hybrid method is insensitive to the parametrization of the hybrid XC functional. On this basis, we further rationalize the success of the pSIC-DFT approach.
Liquid-state polaron theory of the hydrated electron revisited
NASA Astrophysics Data System (ADS)
Donley, James P.; Heine, David R.; Tormey, Caleb A.; Wu, David T.
2014-07-01
The quantum path integral/classical liquid-state theory of Chandler and co-workers, created to describe an excess electron in solvent, is re-examined for the hydrated electron. The portion that models electron-water density correlations is replaced by two equations: the range optimized random phase approximation (RO-RPA), and the Donley, Rajasekaran, and Liu (DRL) approximation to the "two-chain" equation, both shown previously to describe accurately the static structure and thermodynamics of strongly charged polyelectrolyte solutions. The static equilibrium properties of the hydrated electron are analyzed using five different electron-water pseudopotentials. The theory is then compared with data from mixed quantum/classical Monte Carlo and molecular dynamics simulations using these same pseudopotentials. It is found that the predictions of the RO-RPA and DRL-based polaron theories are similar and improve upon previous theory, with values for almost all properties analyzed in reasonable quantitative agreement with the available simulation data. Also, it is found using the Larsen, Glover, and Schwartz pseudopotential that the theories give values for the solvation free energy that are at least three times larger than that from experiment.
Liquid-state polaron theory of the hydrated electron revisited
Donley, James P.; Heine, David R.; Tormey, Caleb A.; Wu, David T.
2014-07-14
The quantum path integral/classical liquid-state theory of Chandler and co-workers, created to describe an excess electron in solvent, is re-examined for the hydrated electron. The portion that models electron-water density correlations is replaced by two equations: the range optimized random phase approximation (RO-RPA), and the Donley, Rajasekaran, and Liu (DRL) approximation to the “two-chain” equation, both shown previously to describe accurately the static structure and thermodynamics of strongly charged polyelectrolyte solutions. The static equilibrium properties of the hydrated electron are analyzed using five different electron-water pseudopotentials. The theory is then compared with data from mixed quantum/classical Monte Carlo and molecular dynamics simulations using these same pseudopotentials. It is found that the predictions of the RO-RPA and DRL-based polaron theories are similar and improve upon previous theory, with values for almost all properties analyzed in reasonable quantitative agreement with the available simulation data. Also, it is found using the Larsen, Glover, and Schwartz pseudopotential that the theories give values for the solvation free energy that are at least three times larger than that from experiment.
Thermodynamics of the polaron master equation at finite bias
Krause, Thilo Brandes, Tobias; Schaller, Gernot; Esposito, Massimiliano
2015-04-07
We study coherent transport through a double quantum dot. Its two electronic leads induce electronic matter and energy transport and a phonon reservoir contributes further energy exchanges. By treating the system-lead couplings perturbatively, whereas the coupling to vibrations is treated non-perturbatively in a polaron-transformed frame, we derive a thermodynamic consistent low-dimensional master equation. When the number of phonon modes is finite, a Markovian description is only possible when these couple symmetrically to both quantum dots. For a continuum of phonon modes however, also asymmetric couplings can be described with a Markovian master equation. We compute the electronic current and dephasing rate. The electronic current enables transport spectroscopy of the phonon frequency and displays signatures of Franck-Condon blockade. For infinite external bias but finite tunneling bandwidths, we find oscillations in the current as a function of the internal bias due to the electron-phonon coupling. Furthermore, we derive the full fluctuation theorem and show its identity to the entropy production in the system.
Coupled polaronic and ion transport in nanocrystalline metal oxide electrodes
NASA Astrophysics Data System (ADS)
Rosso, Kevin
2012-02-01
We report new computational methods and fundamental understanding in the dynamics of coupled charge and ion transport in nanoscale metal oxides. The methods attack the multi-scale problem of simulating the collective diffusivities of ions and charge compensating e-/h+ carriers in single crystal particles, across particle-particle grain boundaries, and through networks of grains for select systems. Methods include embedded quantum mechanical clusters at the DFT and MP2 levels of theory for atomic-scale polaronic and ion transport kinetics, classical DFT-based free energy calculations for grain-scale conductivity in the framework of the Poisson-Nernst-Planck formalism, and phase field simulation of charged particle diffusivity for conductivity at the grain network scale. This combination of approaches is one of a kind in terms of its multi-scale range, scaling, and computational efficiency. We are presently focused on coupled electron and Li+ ion transport in polymorphs of TiO2, and also in mixed valence spinel oxides, for electrode conductivity optimization and improving energy storage materials performance for Li+ batteries.
Magnetic-Polaron-Induced Enhancement of Surface Raman Scattering.
Shao, Qi; Liao, Fan; Ruotolo, Antonio
2016-01-01
The studies of the effects of magnetic field on surface enhanced Raman scattering (SERS) have been so far limited to the case of ferromagnetic/noble-metal, core/shell nano-particles, where the influence was always found to be negative. In this work, we investigate the influence of magnetic field on a diluted magnetic semiconductor/metal SERS system. Guided by three dimensional finite-difference time-domain simulations, a high efficient SERS substrate was obtained by diluting Mn into Au-capped ZnO, which results in an increase of the dielectric constant and, therefore, an enhancement of Raman signals. More remarkably, an increase of intensities as well as a reduction of the relative standard deviation (RSD) of Raman signals have been observed as a function of the external magnetic strength. We ascribe these positive influences to magnetic-field induced nucleation of bound magnetic polarons in the Mn doped ZnO. The combination of diluted magnetic semiconductors and SERS may open a new avenue for future magneto-optical applications. PMID:26754049
Polaronic discontinuities induced by off-diagonal coupling.
Zhang, Yuyu; Duan, Liwei; Chen, Qinghu; Zhao, Yang
2012-07-21
In this paper, we study a form of the Holstein molecular crystal model in which the influence of lattice vibrations on the transfers of electronic excitations between neighboring sites (off-diagonal coupling) is taken into account. Using the Toyozawa Ansatz and the Lanczos algorithm, the Holstein Hamiltonian with two types of off-diagonal coupling is studied focusing on a number of analyticity issues in the ground state. For finite-sized lattices and antisymmetric coupling, a sequence of discontinuities are found in the polaron energy dispersion, the size of the ground-state phonon cloud, and the linearized von Neumann entropy used to quantify the quantum entanglement between the exciton and the phonons in the ground state. Such behavior is accompanied by a shift of the ground-state crystal momentum from zero to nonzero values as the coupling strength is increased. In the thermodynamic limit, all discontinuities associated with antisymmetric coupling vanish except the one corresponding to the initial departure of the ground-state wavevector from the Brillouin zone center. For the case of symmetric off-diagonal coupling, a smooth crossover is found to exist in all parameters regimes. PMID:22830684
Energy spectrum of the optical polaron at finite total momentum
NASA Astrophysics Data System (ADS)
Gerlach, B.; Kalina, F.
1999-10-01
In the following discussion we are concerned with the standard Fröhlich model for an optical polaron. We clarify the qualitative properties of the energy spectrum for arbitrary total momentum Q. Concerning the ground-state energy, we establish an effective lower bound. Until now, we have to assume that the electron-phonon coupling parameter α does not exceed a specified positive value. Using this bound, we demonstrate that the ground-state energy coincides with the continuum edge for \\|Q\\|>=\\|QC\\|, QC being finite. Consequently, it is only for \\|Q\\|<\\|QC\\| that an isolated ground state exists at all. This behavior is strikingly different from that of the corresponding system in lower dimensions, which has been analyzed previously by other authors, the discussion of the three-dimensional case remaining incomplete. Concerning the overall behavior of the ground-state energy as a function of Q and α, we find an increase (strict decrease) with increasing \\|Q\\|(α). In addition, we present an approach to the excited states. Interestingly enough, this can be based entirely on the knowledge of the ground-state energy and ground-state wave function.
Polaronic absorption in Sr2IrO4
NASA Astrophysics Data System (ADS)
Sohn, Chang Hee; Qi, Tong-Fei; Noh, Kyung Joo; Park, Hyun-Ju; Yoo, Hyang Keun; Cao, Gang; Kim, Kyung Wan; Cho, Deok-Yong; Moon, Soon Jae; Noh, Tae Won
2014-03-01
Sr2IrO4 has received much attention as a novel Jeff = 1/2 Mott insulator. Many theorists have supposed that exotic novel ground state such as superconductivity, topological insulator, and quantum spin liquid could emerge in Jeff = 1/2 state. However, despite of great interests on Sr2IrO4, the ground state of this material is elusive up to now. Unlike previous Mott scenario, recent reports support that Sr2IrO4 can be described as Slater insulator rather than Mott insulator. The origin of temperature evolutions of electronic structure shown in many experiments also remains vague until now. Here, we investigated the detail temperature evolution of electronic structure of Sr2IrO4 using infrared spectroscopy. We couldn't observe any anomaly in optical conductivity near the TN, which is not consistent with recent reports. Instead, we observed the continuous changes in our optical data which can be explained in terms of polaronic behavior, closely related to La2CuO4.
Magnetic-Polaron-Induced Enhancement of Surface Raman Scattering
Shao, Qi; Liao, Fan; Ruotolo, Antonio
2016-01-01
The studies of the effects of magnetic field on surface enhanced Raman scattering (SERS) have been so far limited to the case of ferromagnetic/noble-metal, core/shell nano-particles, where the influence was always found to be negative. In this work, we investigate the influence of magnetic field on a diluted magnetic semiconductor/metal SERS system. Guided by three dimensional finite-difference time-domain simulations, a high efficient SERS substrate was obtained by diluting Mn into Au-capped ZnO, which results in an increase of the dielectric constant and, therefore, an enhancement of Raman signals. More remarkably, an increase of intensities as well as a reduction of the relative standard deviation (RSD) of Raman signals have been observed as a function of the external magnetic strength. We ascribe these positive influences to magnetic-field induced nucleation of bound magnetic polarons in the Mn doped ZnO. The combination of diluted magnetic semiconductors and SERS may open a new avenue for future magneto-optical applications. PMID:26754049
Light induced polaron formation in perovskite solar cell devices
NASA Astrophysics Data System (ADS)
Neukirch, Amanda; Nie, Wanyi; Blancon, Jean-Christophe; Appavoo, Kannatassen; Tsai, Hsinhan; Chhowalla, Manish; Alam, Muhammad; Sfeir, Matthew; Katan, Claudine; Even, Jacky; Crochet, Jared; Gupta, Gautum; Mohite, Aditya; Tretiak, Sergei
The need for a low-cost, clean, and abundant source of energy has generated large amounts of research in solution processed solar cell materials. The lead halide perovskite has rapidly developed as a serious candidate for the active layer of photovoltaic devices. The efficiencies of devices made with this material have increased from 3.5% to over 20% in around 5 years. Despite the remarkable progress associated with perovskite materials, there are still fundamental questions regarding their lack of photo-stability over prolonged solar irradiation that need to be addressed. Recent experiments on photo-degradation under constant illumination have found fast self-healing by resting the device in the dark for less than 1 minute. Density functional theory and symmetry analysis show that localized charge states couple to local structural lattice distortions and methyl ammonium quasistatic configurations. Once translational symmetry is lost, additional bonding configurations become symmetry allowed, triggering localized charges in the vicinity over time under constant illumination, thus seeding the formation of macroscopic charged domains and preventing efficient charge extraction. Here we present an in-depth study of polaron formation and binding energy at the atomistic level.
Polaronic discontinuities induced by off-diagonal coupling
NASA Astrophysics Data System (ADS)
Zhang, Yuyu; Duan, Liwei; Chen, Qinghu; Zhao, Yang
2012-07-01
In this paper, we study a form of the Holstein molecular crystal model in which the influence of lattice vibrations on the transfers of electronic excitations between neighboring sites (off-diagonal coupling) is taken into account. Using the Toyozawa Ansatz and the Lanczos algorithm, the Holstein Hamiltonian with two types of off-diagonal coupling is studied focusing on a number of analyticity issues in the ground state. For finite-sized lattices and antisymmetric coupling, a sequence of discontinuities are found in the polaron energy dispersion, the size of the ground-state phonon cloud, and the linearized von Neumann entropy used to quantify the quantum entanglement between the exciton and the phonons in the ground state. Such behavior is accompanied by a shift of the ground-state crystal momentum from zero to nonzero values as the coupling strength is increased. In the thermodynamic limit, all discontinuities associated with antisymmetric coupling vanish except the one corresponding to the initial departure of the ground-state wavevector from the Brillouin zone center. For the case of symmetric off-diagonal coupling, a smooth crossover is found to exist in all parameters regimes.
Polaronic Superlattice Formed on Oxidised Magnetite (111) Surface
NASA Astrophysics Data System (ADS)
Berdunov, N.; Mariotto, G.; Murphy, S.; Ceballos, S. F.; Jordan, K.; Shvets, I. V.
2003-12-01
We present direct experimental evidence of the formation of a superstructure on the (111) surface of a magnetite, Fe3O4 single crystal. The superstructure, which has a periodicity of 42 A and three-fold symmetry has been observed by means of STM and LEED. Under the correct conditions of oxygen pressure and sample anneal temperature the superstructure is reproducibly formed throughout most of the sample surface. The characteristics of the superstructure, including its dependency on the tunnel bias voltage and its atomic scale periodicity, suggest that it is an electronic effect rather than a mosaic of several iron oxide phases. We explain the results in terms of the formation of giant static polarons, although we notice that other types of electron-lattice instabilities such as charge density wave may offer possible explanations. We suggest two possible scenarios of instability linking the electron band structure and lattice distortions in magnetite: either resulting from reallocation of Fe2+ and Fe3+ valence states between octahedral sites or alternatively from reallocation between octahedral and tetrahedral sites.
Graph isomorphism and adiabatic quantum computing
NASA Astrophysics Data System (ADS)
Gaitan, Frank; Clark, Lane
2014-02-01
In the graph isomorphism (GI) problem two N-vertex graphs G and G' are given and the task is to determine whether there exists a permutation of the vertices of G that preserves adjacency and transforms G →G'. If yes, then G and G' are said to be isomorphic; otherwise they are nonisomorphic. The GI problem is an important problem in computer science and is thought to be of comparable difficulty to integer factorization. In this paper we present a quantum algorithm that solves arbitrary instances of GI and which also provides an approach to determining all automorphisms of a given graph. We show how the GI problem can be converted to a combinatorial optimization problem that can be solved using adiabatic quantum evolution. We numerically simulate the algorithm's quantum dynamics and show that it correctly (i) distinguishes nonisomorphic graphs; (ii) recognizes isomorphic graphs and determines the permutation(s) that connect them; and (iii) finds the automorphism group of a given graph G. We then discuss the GI quantum algorithm's experimental implementation, and close by showing how it can be leveraged to give a quantum algorithm that solves arbitrary instances of the NP-complete subgraph isomorphism problem. The computational complexity of an adiabatic quantum algorithm is largely determined by the minimum energy gap Δ (N) separating the ground and first-excited states in the limit of large problem size N ≫1. Calculating Δ (N) in this limit is a fundamental open problem in adiabatic quantum computing, and so it is not possible to determine the computational complexity of adiabatic quantum algorithms in general, nor consequently, of the specific adiabatic quantum algorithms presented here. Adiabatic quantum computing has been shown to be equivalent to the circuit model of quantum computing, and so development of adiabatic quantum algorithms continues to be of great interest.
Tunable Polarons of Slow-Light Polaritons in a Two-Dimensional Bose-Einstein Condensate.
Grusdt, Fabian; Fleischhauer, Michael
2016-02-01
When an impurity interacts with a bath of phonons it forms a polaron. For increasing interaction strengths the mass of the polaron increases and it can become self-trapped. For impurity atoms inside an atomic Bose-Einstein condensate (BEC) the nature of this transition is not understood. While Feynman's variational approach to the Fröhlich model predicts a sharp transition for light impurities, renormalization group studies always predict an extended intermediate-coupling region characterized by large phonon correlations. To investigate this intricate regime and to test polaron physics beyond the validity of the Fröhlich model we suggest a versatile experimental setup that allows us to tune both the mass of the impurity and its interactions with the BEC. The impurity is realized as a dark-state polariton (DSP) inside a quasi-two-dimensional BEC. We show that its interactions with the Bogoliubov phonons lead to photonic polarons, described by the Bogoliubov-Fröhlich Hamiltonian, and make theoretical predictions using an extension of a recently introduced renormalization group approach to Fröhlich polarons. PMID:26894712
Tunable Polarons of Slow-Light Polaritons in a Two-Dimensional Bose-Einstein Condensate
NASA Astrophysics Data System (ADS)
Grusdt, Fabian; Fleischhauer, Michael
2016-02-01
When an impurity interacts with a bath of phonons it forms a polaron. For increasing interaction strengths the mass of the polaron increases and it can become self-trapped. For impurity atoms inside an atomic Bose-Einstein condensate (BEC) the nature of this transition is not understood. While Feynman's variational approach to the Fröhlich model predicts a sharp transition for light impurities, renormalization group studies always predict an extended intermediate-coupling region characterized by large phonon correlations. To investigate this intricate regime and to test polaron physics beyond the validity of the Fröhlich model we suggest a versatile experimental setup that allows us to tune both the mass of the impurity and its interactions with the BEC. The impurity is realized as a dark-state polariton (DSP) inside a quasi-two-dimensional BEC. We show that its interactions with the Bogoliubov phonons lead to photonic polarons, described by the Bogoliubov-Fröhlich Hamiltonian, and make theoretical predictions using an extension of a recently introduced renormalization group approach to Fröhlich polarons.
First-principles study of hole polaron formation and migration in SrI2
NASA Astrophysics Data System (ADS)
Zhou, Fei; Sadigh, Babak; Aberg, Daniel
2015-03-01
We investigate the formation of self-trapped holes (STH) in the high performance scintillator material SrI2 using a recently developed first principles method, polaron self-interaction correction (pSIC). pSIC removes the significant spurious self-interaction of localized polaron states. It is capable of accurately reproduce the configurational energy landscape of polaronic states from optimized hybrid functionals at the computational cost of the local density approximation. We searched for and identified all symmetrically distinct STH states localized on neighboring I-I dimers, i.e. Vk centers, and found non-trivial relation between the STH formation energies and dimer separation. All possible polaron hopping paths of the type IAIB -->IBIC are investigated systematically with pSIC and the elastic band method, and paths with low migration barrier energy of about 0.2 eV were identified, suggesting high mobility in SrI2. We expect that the present approach can be applied to study polaron formation and migration in other materials. Support from the National Nuclear Security Administration Office of Nonproliferation Research and Development (NA-22) is acknowledged. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore N We acknowledge funding from the NA-22 agency.
NASA Astrophysics Data System (ADS)
Li, Guangqi; Movaghar, Bijan
2015-06-01
We describe electron transfer and localization in a finite two-dimensional transporting layer (15 × 15) using a tight binding Hamiltonian where each site is coupled to phonons. For a narrow electronic band, a polaron is formed with a population that peaks in the middle of the layer and exhibits a concomitant energy lowering. A "local defect" can be simulated by lowering or raising the corresponding site energy. As an example, if we put the defect in one corner, the consequence is that the electron population builds up a polaron which is repelled from this region. The model has been applied to describe the experimentally observed real time polaron formation process in organic layers and in particular in the surface bands of ice-covered metal. We simulate the polaron formation, population distribution and energy relaxation in time. We also investigate the effect of local fluctuations on polaron formation. The formalism can be generalized to excitonic trapping, and has many potential applications. Supplementary material in the form of one pdf file available from the Journal web page at: http://dx.doi.org/10.1140/epjb/e2015-60258-3.
Accurate adiabatic correction in the hydrogen molecule
Pachucki, Krzysztof; Komasa, Jacek
2014-12-14
A new formalism for the accurate treatment of adiabatic effects in the hydrogen molecule is presented, in which the electronic wave function is expanded in the James-Coolidge basis functions. Systematic increase in the size of the basis set permits estimation of the accuracy. Numerical results for the adiabatic correction to the Born-Oppenheimer interaction energy reveal a relative precision of 10{sup −12} at an arbitrary internuclear distance. Such calculations have been performed for 88 internuclear distances in the range of 0 < R ⩽ 12 bohrs to construct the adiabatic correction potential and to solve the nuclear Schrödinger equation. Finally, the adiabatic correction to the dissociation energies of all rovibrational levels in H{sub 2}, HD, HT, D{sub 2}, DT, and T{sub 2} has been determined. For the ground state of H{sub 2} the estimated precision is 3 × 10{sup −7} cm{sup −1}, which is almost three orders of magnitude higher than that of the best previous result. The achieved accuracy removes the adiabatic contribution from the overall error budget of the present day theoretical predictions for the rovibrational levels.
Accurate adiabatic correction in the hydrogen molecule
NASA Astrophysics Data System (ADS)
Pachucki, Krzysztof; Komasa, Jacek
2014-12-01
A new formalism for the accurate treatment of adiabatic effects in the hydrogen molecule is presented, in which the electronic wave function is expanded in the James-Coolidge basis functions. Systematic increase in the size of the basis set permits estimation of the accuracy. Numerical results for the adiabatic correction to the Born-Oppenheimer interaction energy reveal a relative precision of 10-12 at an arbitrary internuclear distance. Such calculations have been performed for 88 internuclear distances in the range of 0 < R ⩽ 12 bohrs to construct the adiabatic correction potential and to solve the nuclear Schrödinger equation. Finally, the adiabatic correction to the dissociation energies of all rovibrational levels in H2, HD, HT, D2, DT, and T2 has been determined. For the ground state of H2 the estimated precision is 3 × 10-7 cm-1, which is almost three orders of magnitude higher than that of the best previous result. The achieved accuracy removes the adiabatic contribution from the overall error budget of the present day theoretical predictions for the rovibrational levels.
Symmetry-Protected Quantum Adiabatic Transistors
NASA Astrophysics Data System (ADS)
Williamson, Dominic J.; Bartlett, Stephen D.
2014-03-01
An essential development in the history of computing was the invention of the transistor as it allowed logic circuits to be implemented in a robust and modular way. The physical characteristics of semiconductor materials were the key to building these devices. We aim to present an analogous development for quantum computing by showing that quantum adiabatic transistors (as defined by Flammia et al.) are built upon the essential qualities of symmetry-protected (SP) quantum ordered phases in one dimension. Flammia et al. and Renes et al. have demonstrated schemes for universal adiabatic quantum computation using quantum adiabatic transistors described by interacting spin chain models with specifically chosen Hamiltonian terms. We show that these models can be understood as specific examples of the generic situation in which all SP phases lead to quantum computation on encoded edge degrees of freedom by adiabatically traversing a symmetric phase transition into a trivial symmetric phase. This point of view is advantageous as it allows us to readily see that the computational properties of a quantum adiabatic transistor arise from a phase of matter rather than due to carefully tuned interactions.
Magnetization steps and bound magnetic polarons in diluted magnetic semiconductors
NASA Astrophysics Data System (ADS)
McCabe, Gao Hua
1997-09-01
Magnetization measurements and computer simulations were used to address several current problems in the area of the Diluted Magnetic Semiconductors (DMS). The method of Magnetization Steps (MSTs) was used to study Jahn-Teller Distortions in Zn1-xCrxTe, and exchange constants in Pb1-xEuxSe and Pb1- xEuxTe. Bound magnetic polarons in Cu2MnxZn1-xSnS4 were studied by conventional magnetometry. Jahn-Teller Distortions in cubic Zn1- xCrxTe were studied using MSTs. Possible Jahn- Teller Distortions in this material are along the three equivalent /langle 100/rangle axes. Energy states for the three distortion directions are equivalent at H = 0, but are different for finite H. The main issue is whether the populations of three possible distortions will vary with field, or remain frozen at their values in zero- field. The data showed that the populations of the distortions changed significantly. The dominant antiferomagnetic exchange constants J between Eu2+ ions in IV-VI Pb1- xEuxSe and Pb1-xEuxTe were determined using the MST method. Measurements were made at 0.6 K in fields up to 150 kOe. Supplementary data by our collaborators were taken at much lower temperatures. Simulations of various MSTs (from isolated Eu2+ ions, pairs of ions, and triplets) were performed to fit the experimental data. Because J is determined from the MSTs for pairs, the effects of other anisotropies and exchange interactions on these MSTs were considered. They were found to bring little change to the values of J. The exchange constants were J/kB = -0/24 ± 0.03 K for Ph 1-xEu xSe amd os J/KB = -0.264 ± 0.018 K for Ph1-xEuxTe. The dominant AF exchange constants were identified as J1, between nearest-neighbors, by comparing the experimental magnetization curves to the theoretical simulations using the single J model. The dominant antiferromagnetic exchange constants J between Eu2+ ions in IV-VI Pb1- xEuxSe and Pb1-xEuxTe were determined using the MST method. Measurements were made at 0.6 K in
NASA Astrophysics Data System (ADS)
Kalosakas, G.; Aubry, S.; Tsironis, G. P.
1998-10-01
We use a stationary and normal mode analysis of the semiclassical Holstein model in order to connect the low-frequency linear polaron modes to low-lying far-infrared lines of the acetanilide spectrum and through parameter fitting we comment on the validity of the polaron results in this system.
Novel developments and applications of the classical adiabatic dynamics technique
NASA Astrophysics Data System (ADS)
Rosso, Lula
The present work aims to apply and develop modern molecular dynamics techniques based on a novel analysis of the classical adiabatic dynamics approach. In the first part of this thesis, Car-Parrinello ab-initio molecular dynamics, a successful technique based on adiabatic dynamics, is used to study the charge transport mechanism in solid ammonium perchlorate (AP) crystal exposed to an ammonia-rich environment. AP is a solid-state proton conductor composed of NH+4 and ClO-4 units that can undergo a decomposition process at high temperature, leading to its use such as rocket fuel. After computing IR spectra and carefully analysing the dynamics at different temperatures, we found that the charge transport mechanism in the pure crystal is dominated by diffusion of the ammonium ions and that the translational diffusion is strongly coupled to rotational diffusion of the two types of ions present. When the pure ammonium-perchlorate crystal is doped with neutral ammonia, another mechanism comes into play, namely, the Grotthuss proton hopping mechanism via short-lived N2H+7 complexes. In the second part of this thesis, adiabatic dynamics will be used to develop an alternative approach to the calculation of free energy profiles along reaction paths. The new method (AFED) is based on the creation of an adiabatic separation between the reaction coordinate subspace and the remaining degrees of freedom within a molecular dynamics run. This is achieved by associating with the reaction coordinate(s) a high temperature and large mass. These conditions allow the activated process to occur while permitting the remaining degrees of freedom to respond adiabatically. In this limit, by applying a formal multiple time scale Liouville operator factorization, it can be rigorously shown that the free energy profile is obtained directly from the probability distribution of the reaction coordinate subspace and, therefore, no postprocessing of the output data is required. The new method is
Ultralong-Range Polaron-Induced Quenching of Excitons in Isolated Conjugated Polymers
NASA Astrophysics Data System (ADS)
Bolinger, Joshua C.; Traub, Matthew C.; Adachi, Takuji; Barbara, Paul F.
2011-02-01
In conjugated polymers, radiative recombination of excitons (electron-hole pairs) competes with nonradiative thermal relaxation pathways. We visualized exciton quenching induced by hole polarons in single-polymer chains in a device geometry. The distance-scale for quenching was measured by means of a new subdiffraction, single-molecule technique—bias-modulated intensity centroid spectroscopy—which allowed the extraction of a mean centroid shift of 14 nanometers for highly ordered, single-polymer nanodomains. This shift requires energy transfer over distances an order of magnitude greater than previously reported for bulk conjugated polymers and far greater than predicted by the standard mechanism for exciton quenching, the unbiased diffusion of free excitons to quenching sites. Instead, multistep “energy funneling” to trapped, localized polarons is the probable mechanism for polaron-induced exciton quenching.
Bloch oscillations as generators of polarons in a 1D crystal
NASA Astrophysics Data System (ADS)
Nazareno, H. N.; Brito, P. E. de
2016-08-01
The main purpose of this work is to characterize the kind of propagation/localization of carriers in a one-dimensional crystalline structure along the tight-binding model while the electron-phonon interaction is taken into account through a deformation potential and the system is under the action of a dc electric field. The lattice was treated in the classical formalism of harmonic vibrations. A remarkable effect is obtained due to the presence of the electric field. On one side the particle performs Bloch oscillations and at the same time it interacts with the lattice and as a result at each turning point of its trajectory phonons are generated that carry with them a fraction of the electronic wave packet, it is the polaron formation. This way the Bloch oscillations pump polarons into the system. We explain why the polaron is formed at returning points of the oscillations.
Nonadiabatic exchange dynamics during adiabatic frequency sweeps
NASA Astrophysics Data System (ADS)
Barbara, Thomas M.
2016-04-01
A Bloch equation analysis that includes relaxation and exchange effects during an adiabatic frequency swept pulse is presented. For a large class of sweeps, relaxation can be incorporated using simple first order perturbation theory. For anisochronous exchange, new expressions are derived for exchange augmented rotating frame relaxation. For isochronous exchange between sites with distinct relaxation rate constants outside the extreme narrowing limit, simple criteria for adiabatic exchange are derived and demonstrate that frequency sweeps commonly in use may not be adiabatic with regard to exchange unless the exchange rates are much larger than the relaxation rates. Otherwise, accurate assessment of the sensitivity to exchange dynamics will require numerical integration of the rate equations. Examples of this situation are given for experimentally relevant parameters believed to hold for in-vivo tissue. These results are of significance in the study of exchange induced contrast in magnetic resonance imaging.
Extensive Adiabatic Invariants for Nonlinear Chains
NASA Astrophysics Data System (ADS)
Giorgilli, Antonio; Paleari, Simone; Penati, Tiziano
2012-09-01
We look for extensive adiabatic invariants in nonlinear chains in the thermodynamic limit. Considering the quadratic part of the Klein-Gordon Hamiltonian, by a linear change of variables we transform it into a sum of two parts in involution. At variance with the usual method of introducing normal modes, our constructive procedure allows us to exploit the complete resonance, while keeping the extensive nature of the system. Next we construct a nonlinear approximation of an extensive adiabatic invariant for a perturbation of the discrete nonlinear Schrödinger model. The fluctuations of this quantity are controlled via Gibbs measure estimates independent of the system size, for a large set of initial data at low specific energy. Finally, by numerical calculations we show that our adiabatic invariant is well conserved for times much longer than predicted by our first order theory, with fluctuation much smaller than expected according to standard statistical estimates.
Spontaneous emission in stimulated Raman adiabatic passage
Ivanov, P. A.; Vitanov, N. V.; Bergmann, K.
2005-11-15
This work explores the effect of spontaneous emission on the population transfer efficiency in stimulated Raman adiabatic passage (STIRAP). The approach uses adiabatic elimination of weakly coupled density matrix elements in the Liouville equation, from which a very accurate analytic approximation is derived. The loss of population transfer efficiency is found to decrease exponentially with the factor {omega}{sub 0}{sup 2}/{gamma}, where {gamma} is the spontaneous emission rate and {omega}{sub 0} is the peak Rabi frequency. The transfer efficiency increases with the pulse delay and reaches a steady value. For large pulse delay and large spontaneous emission rate STIRAP degenerates into optical pumping.
Adiabatic Hyperspherical Analysis of Realistic Nuclear Potentials
NASA Astrophysics Data System (ADS)
Daily, K. M.; Kievsky, Alejandro; Greene, Chris H.
2015-12-01
Using the hyperspherical adiabatic method with the realistic nuclear potentials Argonne V14, Argonne V18, and Argonne V18 with the Urbana IX three-body potential, we calculate the adiabatic potentials and the triton bound state energies. We find that a discrete variable representation with the slow variable discretization method along the hyperradial degree of freedom results in energies consistent with the literature. However, using a Laguerre basis results in missing energy, even when extrapolated to an infinite number of basis functions and channels. We do not include the isospin T = 3/2 contribution in our analysis.
On black hole spectroscopy via adiabatic invariance
NASA Astrophysics Data System (ADS)
Jiang, Qing-Quan; Han, Yan
2012-12-01
In this Letter, we obtain the black hole spectroscopy by combining the black hole property of adiabaticity and the oscillating velocity of the black hole horizon. This velocity is obtained in the tunneling framework. In particular, we declare, if requiring canonical invariance, the adiabatic invariant quantity should be of the covariant form Iadia = ∮pi dqi. Using it, the horizon area of a Schwarzschild black hole is quantized independently of the choice of coordinates, with an equally spaced spectroscopy always given by ΔA = 8 π lp2 in the Schwarzschild and Painlevé coordinates.
Complexity of the Quantum Adiabatic Algorithm
NASA Technical Reports Server (NTRS)
Hen, Itay
2013-01-01
The Quantum Adiabatic Algorithm (QAA) has been proposed as a mechanism for efficiently solving optimization problems on a quantum computer. Since adiabatic computation is analog in nature and does not require the design and use of quantum gates, it can be thought of as a simpler and perhaps more profound method for performing quantum computations that might also be easier to implement experimentally. While these features have generated substantial research in QAA, to date there is still a lack of solid evidence that the algorithm can outperform classical optimization algorithms.
Adiabatic approximation for nucleus-nucleus scattering
Johnson, R.C.
2005-10-14
Adiabatic approximations to few-body models of nuclear scattering are described with emphasis on reactions with deuterons and halo nuclei (frozen halo approximation) as projectiles. The different ways the approximation should be implemented in a consistent theory of elastic scattering, stripping and break-up are explained and the conditions for the theory's validity are briefly discussed. A formalism which links few-body models and the underlying many-body system is outlined and the connection between the adiabatic and CDCC methods is reviewed.
Electronic structure and polaronic excitation in FeVO{sub 4}
Dixit, A.; Lawes, G.; Chen, P.; Musfeldt, J. L.
2011-10-03
We investigated the electronic properties of FeVO{sub 4} films using optical, valence band x-ray photoelectron, and infrared spectroscopies. These studies show that FeVO{sub 4} is a direct bandgap system with a 2.7 eV gap with the Fermi level in the middle of the valence band maximum and conduction band minimum. A polaronic excitation is also observed in the middle infrared, indicating the importance of charge-lattice coupling in this multiferroic material. Fits to a model for the optical response of large polarons yield a binding energy of approximately 130 meV.
Effects of Shannon entropy and electric field on polaron in RbCl triangular quantum dot
NASA Astrophysics Data System (ADS)
M, Tiotsop; A, J. Fotue; S, C. Kenfack; N, Issofa; H, Fotsin; L, C. Fai
2016-04-01
In this paper, the time evolution of the quantum mechanical state of a polaron is examined using the Pekar type variational method on the condition of the electric-LO-phonon strong-coupling and polar angle in RbCl triangular quantum dot. We obtain the eigenenergies, and the eigenfunctions of the ground state, and the first excited state respectively. This system in a quantum dot can be treated as a two-level quantum system qubit and the numerical calculations are performed. The effects of Shannon entropy and electric field on the polaron in the RbCl triangular quantum dot are also studied.
Improving Li2O2 conductivity via polaron preemption: An ab initio study of Si doping
NASA Astrophysics Data System (ADS)
Timoshevskii, Vladimir; Feng, Zimin; Bevan, Kirk H.; Goodenough, John; Zaghib, Karim
2013-08-01
We report on ab initio electronic structure simulations of Li2O2, where 1.6% of lithium atoms are substituted by silicon. It is demonstrated that this leads to the formation of conducting impurity states in the band gap of Li2O2. We show that these states originate from the antibonding orbitals of the oxygen pairs and are remarkably stable against possible polaron formation (upon electron injection). Through this polaron preemption mechanism, the proposed compound is expected to show significantly higher electronic mobility than stoichiometric Li2O2, which could have significant applications in lithium-air batteries.
Turbulent Density Variations in Non-Adiabatic Interstellar Fluids
NASA Astrophysics Data System (ADS)
Higdon, J. C.; Conley, Alex
1998-05-01
Analyses of radio scintillation measurements have demonstrated (e.g., Rickett, ARAA, 28, 561, 1990) the existence of ubiquitous turbulent density fluctuations in the interstellar medium. Higdon (ApJ, 309, 342, 1986) and Goldreich and Sridhar (ApJ, 438, 763 1995) have modeled successfully these density variations as entropy structures distorted by convection in anisotropic magnetohydrodynamic turbulent flows. However, the interstellar medium is a heterogeneous non-adiabatic fluid whose thermal properties result ( Field, ApJ, 142, 531 1965) from a balance of heating and cooling rates. The effect of the non-adiabatic nature of interstellar fluids on the properties of turbulent cascades to small scales has not been considered previously. We find that in thermally stable fluids that the required balance of heating and cooling decreases the amplitudes of entropy structures independently of their spatial scale. Consequently, we show that if the time scale for turbulent flows to cascade to small scales is significantly greater than the cooling time of an interstellar fluid, the generation of turbulent denisty density variations at large wave numbers is greatly suppressed. Such results constrain possible values for the turbulent outer scale in models of interstellar turbulent flows.
Adiabatic Compression in a Fire Syringe.
ERIC Educational Resources Information Center
Hayn, Carl H.; Baird, Scott C.
1985-01-01
Suggests using better materials in fire syringes to obtain more effective results during demonstrations which show the elevation in temperature upon a very rapid (adiabatic) compression of air. Also describes an experiment (using ignition temperatures) which introduces students to the use of thermocouples for high temperature measurements. (DH)
Apparatus to Measure Adiabatic and Isothermal Processes.
ERIC Educational Resources Information Center
Lamb, D. W.; White, G. M.
1996-01-01
Describes a simple manual apparatus designed to serve as an effective demonstration of the differences between isothermal and adiabatic processes for the general or elementary physics student. Enables students to verify Boyle's law for slow processes and identify the departure from this law for rapid processes and can also be used to give a clear…
Communication: Adiabatic and non-adiabatic electron-nuclear motion: Quantum and classical dynamics
NASA Astrophysics Data System (ADS)
Albert, Julian; Kaiser, Dustin; Engel, Volker
2016-05-01
Using a model for coupled electronic-nuclear motion we investigate the range from negligible to strong non-adiabatic coupling. In the adiabatic case, the quantum dynamics proceeds in a single electronic state, whereas for strong coupling a complete transition between two adiabatic electronic states takes place. It is shown that in all coupling regimes the short-time wave-packet dynamics can be described using ensembles of classical trajectories in the phase space spanned by electronic and nuclear degrees of freedom. We thus provide an example which documents that the quantum concept of non-adiabatic transitions is not necessarily needed if electronic and nuclear motion is treated on the same footing.
The dynamic instability of adiabatic blast waves
NASA Technical Reports Server (NTRS)
Ryu, Dongsu; Vishniac, Ethan T.
1991-01-01
Adiabatic blastwaves, which have a total energy injected from the center E varies as t(sup q) and propagate through a preshock medium with a density rho(sub E) varies as r(sup -omega) are described by a family of similarity solutions. Previous work has shown that adiabatic blastwaves with increasing or constant postshock entropy behind the shock front are susceptible to an oscillatory instability, caused by the difference between the nature of the forces on the two sides of the dense shell behind the shock front. This instability sets in if the dense postshock layer is sufficiently thin. The stability of adiabatic blastwaves with a decreasing postshock entropy is considered. Such blastwaves, if they are decelerating, always have a region behind the shock front which is subject to convection. Some accelerating blastwaves also have such region, depending on the values of q, omega, and gamma where gamma is the adiabatic index. However, since the shock interface stabilizes dynamically induced perturbations, blastwaves become convectively unstable only if the convective zone is localized around the origin or a contact discontinuity far from the shock front. On the other hand, the contact discontinuity of accelerating blastwaves is subject to a strong Rayleigh-Taylor instability. The frequency spectra of the nonradial, normal modes of adiabatic blastwaves have been calculated. The results have been applied to the shocks propagating through supernovae envelopes. It is shown that the metal/He and He/H interfaces are strongly unstable against the Rayleigh-Taylor instability. This instability will induce mixing in supernovae envelopes. In addition the implications of this work for the evolution of planetary nebulae is discussed.
Adiabatic circuits: converter for static CMOS signals
NASA Astrophysics Data System (ADS)
Fischer, J.; Amirante, E.; Bargagli-Stoffi, A.; Schmitt-Landsiedel, D.
2003-05-01
Ultra low power applications can take great advantages from adiabatic circuitry. In this technique a multiphase system is used which consists ideally of trapezoidal voltage signals. The input signals to be processed will often come from a function block realized in static CMOS. The static rectangular signals must be converted for the oscillating multiphase system of the adiabatic circuitry. This work shows how to convert the input signals to the proposed pulse form which is synchronized to the appropriate supply voltage. By means of adder structures designed for a 0.13µm technology in a 4-phase system there will be demonstrated, which additional circuits are necessary for the conversion. It must be taken into account whether the data arrive in parallel or serial form. Parallel data are all in one phase and therefore it is advantageous to use an adder structure with a proper input stage, e.g. a Carry Lookahead Adder (CLA). With a serial input stage it is possible to read and to process four signals during one cycle due to the adiabatic 4-phase system. Therefore input signals with a frequency four times higher than the adiabatic clock frequency can be used. This reduces the disadvantage of the slow clock period typical for adiabatic circuits. By means of an 8 bit Ripple Carry Adder (8 bit RCA) the serial reading will be introduced. If the word width is larger than 4 bits the word can be divided in 4 bit words which are processed in parallel. This is the most efficient way to minimize the number of input lines and pads. At the same time a high throughput is achieved.
The dynamic instability of adiabatic blast waves
NASA Astrophysics Data System (ADS)
Ryu, Dongsu; Vishniac, Ethan T.
1991-02-01
Adiabatic blastwaves, which have a total energy injected from the center E varies as tq and propagate through a preshock medium with a density rhoE varies as r-omega are described by a family of similarity solutions. Previous work has shown that adiabatic blastwaves with increasing or constant postshock entropy behind the shock front are susceptible to an oscillatory instability, caused by the difference between the nature of the forces on the two sides of the dense shell behind the shock front. This instability sets in if the dense postshock layer is sufficiently thin. The stability of adiabatic blastwaves with a decreasing postshock entropy is considered. Such blastwaves, if they are decelerating, always have a region behind the shock front which is subject to convection. Some accelerating blastwaves also have such region, depending on the values of q, omega, and gamma where gamma is the adiabatic index. However, since the shock interface stabilizes dynamically induced perturbations, blastwaves become convectively unstable only if the convective zone is localized around the origin or a contact discontinuity far from the shock front. On the other hand, the contact discontinuity of accelerating blastwaves is subject to a strong Rayleigh-Taylor instability. The frequency spectra of the nonradial, normal modes of adiabatic blastwaves have been calculated. The results have been applied to the shocks propagating through supernovae envelopes. It is shown that the metal/He and He/H interfaces are strongly unstable against the Rayleigh-Taylor instability. This instability will induce mixing in supernovae envelopes. In addition the implications of this work for the evolution of planetary nebulae is discussed.
The dynamic instability of adiabatic blastwaves
NASA Astrophysics Data System (ADS)
Ryu, Dongsu; Vishniac, Ethan T.
1990-05-01
Adiabatic blastwaves, which have a total energy injected from the center E varies as t(sup q) and propagate through a preshock medium with a density rho(sub E) varies as r(sup -omega) are described by a family of similarity solutions. Previous work has shown that adiabatic blastwaves with increasing or constant postshock entropy behind the shock front are susceptible to an oscillatory instability, caused by the difference between the nature of the forces on the two sides of the dense shell behind the shock front. This instability sets in if the dense postshock layer is sufficiently thin. The stability of adiabatic blastwaves with a decreasing postshock entropy is considered. Such blastwaves, if they are decelerating, always have a region behind the shock front which is subject to convection. Some accelerating blastwaves also have such region, depending on the values of q, omega, and gamma where gamma is the adiabatic index. However, since the shock interface stabilizes dynamically induced perturbations, blastwaves become convectively unstable only if the convective zone is localized around the origin or a contact discontinuity far from the shock front. On the other hand, the contact discontinuity of accelerating blastwaves is subject to a strong Rayleigh-Taylor instability. The frequency spectra of the nonradial, normal modes of adiabatic blastwaves have been calculated. The results have been applied to the shocks propagating through supernovae envelopes. It is shown that the metal/He and He/H interfaces are strongly unstable against the Rayleigh-Taylor instability. This instability will induce mixing in supernovae envelopes. In addition the implications of this work for the evolution of planetary nebulae is discussed.
Adiabatic burst evaporation from bicontinuous nanoporous membranes
Ichilmann, Sachar; Rücker, Kerstin; Haase, Markus; Enke, Dirk
2015-01-01
Evaporation of volatile liquids from nanoporous media with bicontinuous morphology and pore diameters of a few 10 nm is an ubiquitous process. For example, such drying processes occur during syntheses of nanoporous materials by sol–gel chemistry or by spinodal decomposition in the presence of solvents as well as during solution impregnation of nanoporous hosts with functional guests. It is commonly assumed that drying is endothermic and driven by non-equilibrium partial pressures of the evaporating species in the gas phase. We show that nearly half of the liquid evaporates in an adiabatic mode involving burst-like liquid-to-gas conversions. During single adiabatic burst evaporation events liquid volumes of up to 107 μm3 are converted to gas. The adiabatic liquid-to-gas conversions occur if air invasion fronts get unstable because of the built-up of high capillary pressures. Adiabatic evaporation bursts propagate avalanche-like through the nanopore systems until the air invasion fronts have reached new stable configurations. Adiabatic cavitation bursts thus compete with Haines jumps involving air invasion front relaxation by local liquid flow without enhanced mass transport out of the nanoporous medium and prevail if the mean pore diameter is in the range of a few 10 nm. The results reported here may help optimize membrane preparation via solvent-based approaches, solution-loading of nanopore systems with guest materials as well as routine use of nanoporous membranes with bicontinuous morphology and may contribute to better understanding of adsorption/desorption processes in nanoporous media. PMID:25926406
Adiabatic evolution of an irreversible two level system
Kvitsinsky, A.; Putterman, S. )
1991-05-01
The adiabatic dynamics of a two level atom with spontaneous decay is studied. The existence of a complex adiabatic phase shift is established: The real part being the usual Berry's phase. A closed-form expression for this phase and the adiabatic transition amplitudes is obtained. Incorporation of a finite preparation time for the initial state yields a new asymptotic form for the adiabatic transition amplitudes which is significantly different from the standard Landau--Zener--Dykhne formula.
Time-resolved magnetophotoluminescence studies of magnetic polaron dynamics in type-II quantum dots
NASA Astrophysics Data System (ADS)
Barman, B.; Oszwałdowski, R.; Schweidenback, L.; Russ, A. H.; Pientka, J. M.; Tsai, Y.; Chou, W.-C.; Fan, W. C.; Murphy, J. R.; Cartwright, A. N.; Sellers, I. R.; Petukhov, A. G.; Žutić, I.; McCombe, B. D.; Petrou, A.
2015-07-01
We used continuous wave photoluminescence (cw-PL) and time-resolved photoluminescence (TR-PL) spectroscopy to compare the properties of magnetic polarons (MP) in two related spatially indirect II-VI epitaxially grown quantum dot systems. In the ZnTe /(Zn ,Mn )Se system the holes are confined in the nonmagnetic ZnTe quantum dots (QDs), and the electrons reside in the magnetic (Zn,Mn)Se matrix. On the other hand, in the (Zn ,Mn )Te /ZnSe system, the holes are confined in the magnetic (Zn,Mn)Te QDs, while the electrons remain in the surrounding nonmagnetic ZnSe matrix. The magnetic polaron formation energies EMP in both systems were measured from the temporal redshift of the band-edge emission. The magnetic polaron exhibits distinct characteristics depending on the location of the Mn ions. In the ZnTe /(Zn ,Mn )Se system the magnetic polaron shows conventional behavior with EMP decreasing with increasing temperature T and increasing magnetic field B . In contrast, EMP in the (Zn ,Mn )Te /ZnSe system has unconventional dependence on temperature T and magnetic field B ; EMP is weakly dependent on T as well as on B . We discuss a possible origin for such a striking difference in the MP properties in two closely related QD systems.
Competition between polaron pair formation and singlet fission observed in amorphous rubrene films
NASA Astrophysics Data System (ADS)
Jankus, Vygintas; Snedden, Edward W.; Bright, Daniel W.; Arac, Erhan; Dai, DeChang; Monkman, Andrew P.
2013-06-01
In this paper, we investigate excited state dynamics in amorphous rubrene vacuum sublimed films. We report the direct observation of singlet fission in amorphous rubrene films. We have determined the fission rate to be >2.5×1012 s-1. Simultaneously, we observe strong polaron pair absorption and propose that polaron pair formation could be competing with singlet fission. Another possible conclusion from our experiments could be that two triplets from singlet fission might arise via polaron pairs. In either case, polaron pairs play an important role in singlet fission in an amorphous rubrene film. We also observe that triplets created by singlet fission fuse to regenerate a singlet, giving delayed fluorescence (DF) scaling linearly with initial laser energy (i.e., one singlet gives two triplets and two triplets give back one singlet). This is a strong evidence of S1n→2T1. We did not observe substantial temperature dependence of DF decay curve shape, indicating that triplet migration in amorphous rubrene films is not hopping limited and that triplets undergo fusion before their migration.
Generalized Hartree-Fock-Bogoliubov description of the Fröhlich polaron
NASA Astrophysics Data System (ADS)
Kain, Ben; Ling, Hong Y.
2016-07-01
We adapt the generalized Hartree-Fock-Bogoliubov (HFB) method to an interacting many-phonon system free of impurities. The many-phonon system is obtained from applying the Lee-Low-Pine (LLP) transformation to the Fröhlich model which describes a mobile impurity coupled to noninteracting phonons. We specialize our general HFB description of the Fröhlich polaron to Bose polarons in quasi-one-dimensional cold-atom mixtures. The LLP-transformed many-phonon system distinguishes itself with an artificial phonon-phonon interaction which is very different from the usual two-body interaction. We use the quasi-one-dimensional model, which is free of an ultraviolet divergence that exists in higher dimensions, to better understand how this unique interaction affects polaron states and how the density and pair correlations inherent to the HFB method conspire to create a polaron ground state with an energy in good agreement with and far closer to the prediction from Feynman's variational path integral approach than mean-field theory where HFB correlations are absent.
Optical orientation of hole magnetic polarons in (Cd,Mn)Te/(Cd,Mn,Mg)Te quantum wells
NASA Astrophysics Data System (ADS)
Zhukov, E. A.; Kusrayev, Yu. G.; Kavokin, K. V.; Yakovlev, D. R.; Debus, J.; Schwan, A.; Akimov, I. A.; Karczewski, G.; Wojtowicz, T.; Kossut, J.; Bayer, M.
2016-06-01
The optically induced spin polarization in (Cd,Mn)Te/(Cd,Mn,Mg)Te diluted-magnetic-semiconductor quantum wells is investigated by means of picosecond pump-probe Kerr rotation. At 1.8 K temperature, additionally to the oscillatory signals from photoexcited electrons and manganese spins precessing about an external magnetic field, a surprisingly long-lived (up to 60 ns) nonoscillating spin polarization is detected. This polarization is related to optical orientation of equilibrium magnetic polarons involving resident holes. The suggested mechanism for the optical orientation of the equilibrium magnetic polarons indicates that the detected polaron dynamics originates from unexcited magnetic polarons. The polaron spin dynamics is controlled by the anisotropic spin structure of the heavy hole resulting in a freezing of the polaron magnetic moment in one of the two stable states oriented along the structure growth axis. Spin relaxation between these states is prohibited by a potential barrier, which depends on temperature and magnetic field. The magnetic polaron relaxation is accelerated with increasing temperature and in magnetic field.
Benabbas, Abdelkrim; Salna, Bridget; Sage, J. Timothy; Champion, Paul M.
2015-03-21
Analytical models describing the temperature dependence of the deep tunneling rate, useful for proton, hydrogen, or hydride transfer in proteins, are developed and compared. Electronically adiabatic and non-adiabatic expressions are presented where the donor-acceptor (D-A) motion is treated either as a quantized vibration or as a classical “gating” distribution. We stress the importance of fitting experimental data on an absolute scale in the electronically adiabatic limit, which normally applies to these reactions, and find that vibrationally enhanced deep tunneling takes place on sub-ns timescales at room temperature for typical H-bonding distances. As noted previously, a small room temperature kinetic isotope effect (KIE) does not eliminate deep tunneling as a major transport channel. The quantum approach focuses on the vibrational sub-space composed of the D-A and hydrogen atom motions, where hydrogen bonding and protein restoring forces quantize the D-A vibration. A Duschinsky rotation is mandated between the normal modes of the reactant and product states and the rotation angle depends on the tunneling particle mass. This tunnel-mass dependent rotation contributes substantially to the KIE and its temperature dependence. The effect of the Duschinsky rotation is solved exactly to find the rate in the electronically non-adiabatic limit and compared to the Born-Oppenheimer (B-O) approximation approach. The B-O approximation is employed to find the rate in the electronically adiabatic limit, where we explore both harmonic and quartic double-well potentials for the hydrogen atom bound states. Both the electronically adiabatic and non-adiabatic rates are found to diverge at high temperature unless the proton coupling includes the often neglected quadratic term in the D-A displacement from equilibrium. A new expression is presented for the electronically adiabatic tunnel rate in the classical limit for D-A motion that should be useful to experimentalists working
Benabbas, Abdelkrim; Salna, Bridget; Sage, J Timothy; Champion, Paul M
2015-03-21
Analytical models describing the temperature dependence of the deep tunneling rate, useful for proton, hydrogen, or hydride transfer in proteins, are developed and compared. Electronically adiabatic and non-adiabatic expressions are presented where the donor-acceptor (D-A) motion is treated either as a quantized vibration or as a classical "gating" distribution. We stress the importance of fitting experimental data on an absolute scale in the electronically adiabatic limit, which normally applies to these reactions, and find that vibrationally enhanced deep tunneling takes place on sub-ns timescales at room temperature for typical H-bonding distances. As noted previously, a small room temperature kinetic isotope effect (KIE) does not eliminate deep tunneling as a major transport channel. The quantum approach focuses on the vibrational sub-space composed of the D-A and hydrogen atom motions, where hydrogen bonding and protein restoring forces quantize the D-A vibration. A Duschinsky rotation is mandated between the normal modes of the reactant and product states and the rotation angle depends on the tunneling particle mass. This tunnel-mass dependent rotation contributes substantially to the KIE and its temperature dependence. The effect of the Duschinsky rotation is solved exactly to find the rate in the electronically non-adiabatic limit and compared to the Born-Oppenheimer (B-O) approximation approach. The B-O approximation is employed to find the rate in the electronically adiabatic limit, where we explore both harmonic and quartic double-well potentials for the hydrogen atom bound states. Both the electronically adiabatic and non-adiabatic rates are found to diverge at high temperature unless the proton coupling includes the often neglected quadratic term in the D-A displacement from equilibrium. A new expression is presented for the electronically adiabatic tunnel rate in the classical limit for D-A motion that should be useful to experimentalists working near
NASA Astrophysics Data System (ADS)
Benabbas, Abdelkrim; Salna, Bridget; Sage, J. Timothy; Champion, Paul M.
2015-03-01
Analytical models describing the temperature dependence of the deep tunneling rate, useful for proton, hydrogen, or hydride transfer in proteins, are developed and compared. Electronically adiabatic and non-adiabatic expressions are presented where the donor-acceptor (D-A) motion is treated either as a quantized vibration or as a classical "gating" distribution. We stress the importance of fitting experimental data on an absolute scale in the electronically adiabatic limit, which normally applies to these reactions, and find that vibrationally enhanced deep tunneling takes place on sub-ns timescales at room temperature for typical H-bonding distances. As noted previously, a small room temperature kinetic isotope effect (KIE) does not eliminate deep tunneling as a major transport channel. The quantum approach focuses on the vibrational sub-space composed of the D-A and hydrogen atom motions, where hydrogen bonding and protein restoring forces quantize the D-A vibration. A Duschinsky rotation is mandated between the normal modes of the reactant and product states and the rotation angle depends on the tunneling particle mass. This tunnel-mass dependent rotation contributes substantially to the KIE and its temperature dependence. The effect of the Duschinsky rotation is solved exactly to find the rate in the electronically non-adiabatic limit and compared to the Born-Oppenheimer (B-O) approximation approach. The B-O approximation is employed to find the rate in the electronically adiabatic limit, where we explore both harmonic and quartic double-well potentials for the hydrogen atom bound states. Both the electronically adiabatic and non-adiabatic rates are found to diverge at high temperature unless the proton coupling includes the often neglected quadratic term in the D-A displacement from equilibrium. A new expression is presented for the electronically adiabatic tunnel rate in the classical limit for D-A motion that should be useful to experimentalists working near
Dust-acoustic solitary waves in a four-component adiabatic magnetized dusty plasma
Akhter, T. Mannan, A.; Mamun, A. A.
2013-07-15
Theoretical investigation has been made on obliquely propagating dust-acoustic (DA) solitary waves (SWs) in a magnetized dusty plasma which consists of non-inertial adiabatic electron and ion fluids, and inertial negatively as well as positively charged adiabatic dust fluids. The reductive perturbation method has been employed to derive the Korteweg-de Vries equation which admits a solitary wave solution for small but finite amplitude limit. It has been shown that the basic features (speed, height, thickness, etc.) of such DA solitary structures are significantly modified by adiabaticity of plasma fluids, opposite polarity dust components, and the obliqueness of external magnetic field. The SWs have been changed from compressive to rarefactive depending on the value of {mu} (a parameter determining the number of positive dust present in this plasma model). The present investigation can be of relevance to the electrostatic solitary structures observed in various dusty plasma environments (viz. cometary tails, upper mesosphere, Jupiter's magnetosphere, etc.)
NASA Astrophysics Data System (ADS)
Inche Ibrahim, M. L.
2016-04-01
The dissociation of polaron pairs into free charge carriers in organic bulk heterojunction solar cells is a fundamental step in generating photocurrent and is still in debate. In this study, we propose two simple criteria that can be used to test the validity of any polaron pair dissociation model for polymer-fullerene bulk heterojunction solar cells. The first criterion states that the ratio of the bimolecular recombination current density to the maximum photocurrent density should increase as a function of applied voltage. The second criterion states that the ratio of the bimolecular recombination current density to the maximum photocurrent density at short circuit should not be larger than 1. We apply these criteria to test the validity of the widely used Onsager-Braun model by using the experimental current-voltage data of poly[2-methoxy-5-(3'-7'-dimethyloctyloxy)-p-phenylene vinylene] (OC1C10-PPV) and [6,6]-phenyl C61-butyric acid methylester (PCBM) based solar cells. We find that our numerical analysis is not suitable to employ these criteria. Our analytical analysis, on the other hand, clearly demonstrates that the Onsager-Braun model simply cannot fulfill the first criteria. The reason is because the polaron pair dissociation given by the Onsager-Braun model is too strongly influenced by the electric field (i.e., decreases too rapidly as the electric field decreases). The analysis provides a further evidence against the widely used Onsager-Braun model. The proposed criteria can help us to determine the correct model for polaron pair dissociation by serving as a guideline on how strongly the electric field is allowed to influence the polaron pair dissociation.
NASA Astrophysics Data System (ADS)
Bourson, P.; Aillerie, M.; Cochez, M.; Ferriol, M.; Zhang, Y.; Guilbert, L.
2003-10-01
The growth of iron-doped single-crystal fibers of lithium niobate was performed by the Laser Heated Pedestal Growth Technique for different Fe 2O 3 contents in the feed rods. We used the polaron luminescence to explain the processes of iron substitution in iron-doped single-crystal fibers of lithium niobate. The interpretation of the polaron behavior as a function of iron concentration confirms several predicted effects as the decrease of the global amount of vacancies and the predominant role of the niobium in its polaronic or bipolaronic forms in the LN lattice.
NASA Astrophysics Data System (ADS)
Xu, Kai; Ma, Dongge
2014-08-01
The magnetic field effects of electroluminescence (MEL) in 4-[dicyanomethylene]-2-t-butyl-6-(1,1,7,7-tetramethyljulolidyl-9-enyl)-4H-pyran(DCJTB) doped tri-(8-hydroxyquinoline)-aluminum (Alq3) based organic light-emitting diodes were investigated. A linear decrease in MEL with the increase of magnetic field was observed at high magnetic field (>20 mT) in this doping devices, which has been attributed to the singlet-polaron quenching effect. It was found that the singlet-polaron quenching is magnetic field dependent. Our results showed that singlet-polaron quenching commonly exists in fluorescence OLEDs and induces the linear decrease in MEL.
Breakdown of adiabatic transfer of light in waveguides in the presence of absorption
NASA Astrophysics Data System (ADS)
Graefe, Eva-Maria; Mailybaev, Alexei A.; Moiseyev, Nimrod
2013-09-01
In atomic physics, adiabatic evolution is often used to achieve a robust and efficient population transfer. Many adiabatic schemes have also been implemented in optical waveguide structures. Recently there has been increasing interest in the influence of decay and absorption, and their engineering applications. Here it is shown that even a small decay can significantly influence the dynamical behavior of a system, above and beyond a mere change of the overall norm. In particular, a small decay can lead to a breakdown of adiabatic transfer schemes, even when both the spectrum and the eigenfunctions are only sightly modified. This is demonstrated for the generalization of a stimulated Raman adiabatic passage scheme that has recently been implemented in optical waveguide structures. Here the question how an additional absorption in either the initial or the target waveguide influences the transfer property of the scheme is addressed. It is found that the scheme breaks down for small values of the absorption at a relatively sharp threshold, which can be estimated by simple analytical arguments.
Non-adiabatic perturbations in multi-component perfect fluids
Koshelev, N.A.
2011-04-01
The evolution of non-adiabatic perturbations in models with multiple coupled perfect fluids with non-adiabatic sound speed is considered. Instead of splitting the entropy perturbation into relative and intrinsic parts, we introduce a set of symmetric quantities, which also govern the non-adiabatic pressure perturbation in models with energy transfer. We write the gauge invariant equations for the variables that determine on a large scale the non-adiabatic pressure perturbation and the rate of changes of the comoving curvature perturbation. The analysis of evolution of the non-adiabatic pressure perturbation has been made for several particular models.
Statics and adiabatic dynamics of nonlinear excitations in defected polyacetylene
Phillpot, S.R.; Baeriswyl, D.; Bishop, A.R.; Lomdahl, P.S.
1985-01-01
Within the Su, Schrieffer and Heeger model we have calculated, both analytically and numerically, the effects of model impurities on the electronic structure and lattice distortion of trans-polyacetylene. We find that the electron-phonon coupling may result in a fundamental alteration of the impurity level location. In simulated photoexcitation experiments on the defected system we find that, in addition to the kinks and breathers produced in the undefected system, ''trapped kinks'', excitons and polarons may also be produced. We suggest that the polarons produced in this novel way may be unusually stable and play an important role in hopping conduction mechanisms.
Adiabatic Far Field Sub-Diffraction Imaging
Cang, Hu; Salandrino, Alessandro; Wang, Yuan; Zhang, Xiang
2015-01-01
The limited resolution of a conventional optical imaging system stems from the fact that the fine feature information of an object is carried by evanescent waves, which exponentially decay in space thus cannot reach the imaging plane. We introduce here a new concept of adiabatic lens, which utilizes a geometrically conformal surface to mediate the interference of slowly decompressed electromagnetic waves at far field to form images. The decompression is satisfying an adiabatic condition, and by bridging the gap between far field and near field, it allows far field optical systems to project an image of the near field features directly. Using these designs, we demonstrated the magnification can be up to 20 times and it is possible to achieve sub-50nm imaging resolution in visible. Our approach provides a means to extend the domain of geometrical optics to a deep sub-wavelength scale. PMID:26258769
Shortcuts to adiabaticity from linear response theory.
Acconcia, Thiago V; Bonança, Marcus V S; Deffner, Sebastian
2015-10-01
A shortcut to adiabaticity is a finite-time process that produces the same final state as would result from infinitely slow driving. We show that such shortcuts can be found for weak perturbations from linear response theory. With the help of phenomenological response functions, a simple expression for the excess work is found-quantifying the nonequilibrium excitations. For two specific examples, i.e., the quantum parametric oscillator and the spin 1/2 in a time-dependent magnetic field, we show that finite-time zeros of the excess work indicate the existence of shortcuts. Finally, we propose a degenerate family of protocols, which facilitates shortcuts to adiabaticity for specific and very short driving times. PMID:26565209
Arbitrary qudit gates by adiabatic passage
NASA Astrophysics Data System (ADS)
Rousseaux, B.; Guérin, S.; Vitanov, N. V.
2013-03-01
We derive an adiabatic technique that implements the most general SU(d) transformation in a quantum system of d degenerate states, featuring a qudit. This technique is based on the factorization of the SU(d) transformation into d generalized quantum Householder reflections, each of which is implemented by a two-shot stimulated Raman adiabatic passage with appropriate static phases. The energy of the lasers needed to synthesize a single Householder reflection is shown to be remarkably constant as a function of d. This technique is directly applicable to a linear trapped ion system with d+1 ions. We implement the quantum Fourier transform numerically in a qudit with d=4 (defined as a quartit) as an example.
Trapped Ion Quantum Computation by Adiabatic Passage
Feng Xuni; Wu Chunfeng; Lai, C. H.; Oh, C. H.
2008-11-07
We propose a new universal quantum computation scheme for trapped ions in thermal motion via the technique of adiabatic passage, which incorporates the advantages of both the adiabatic passage and the model of trapped ions in thermal motion. Our scheme is immune from the decoherence due to spontaneous emission from excited states as the system in our scheme evolves along a dark state. In our scheme the vibrational degrees of freedom are not required to be cooled to their ground states because they are only virtually excited. It is shown that the fidelity of the resultant gate operation is still high even when the magnitude of the effective Rabi frequency moderately deviates from the desired value.
Adiabatic Quantum Optimization for Associative Memory Recall
NASA Astrophysics Data System (ADS)
Seddiqi, Hadayat; Humble, Travis
2014-12-01
Hopfield networks are a variant of associative memory that recall patterns stored in the couplings of an Ising model. Stored memories are conventionally accessed as fixed points in the network dynamics that correspond to energetic minima of the spin state. We show that memories stored in a Hopfield network may also be recalled by energy minimization using adiabatic quantum optimization (AQO). Numerical simulations of the underlying quantum dynamics allow us to quantify AQO recall accuracy with respect to the number of stored memories and noise in the input key. We investigate AQO performance with respect to how memories are stored in the Ising model according to different learning rules. Our results demonstrate that AQO recall accuracy varies strongly with learning rule, a behavior that is attributed to differences in energy landscapes. Consequently, learning rules offer a family of methods for programming adiabatic quantum optimization that we expect to be useful for characterizing AQO performance.
Quantum adiabatic evolution with energy degeneracy levels
NASA Astrophysics Data System (ADS)
Zhang, Qi
2016-01-01
A classical-kind phase-space formalism is developed to address the tiny intrinsic dynamical deviation from what is predicted by Wilczek-Zee theorem during quantum adiabatic evolution on degeneracy levels. In this formalism, the Hilbert space and the aggregate of degenerate eigenstates become the classical-kind phase space and a high-dimensional subspace in the phase space, respectively. Compared with the previous analogous study by a different method, the current result is qualitatively different in that the first-order deviation derived here is always perpendicular to the degeneracy subspace. A tripod-scheme Hamiltonian with two degenerate dark states is employed to illustrate the adiabatic deviation with degeneracy levels.
Shortcuts to adiabaticity from linear response theory
NASA Astrophysics Data System (ADS)
Acconcia, Thiago V.; Bonança, Marcus V. S.; Deffner, Sebastian
2015-10-01
A shortcut to adiabaticity is a finite-time process that produces the same final state as would result from infinitely slow driving. We show that such shortcuts can be found for weak perturbations from linear response theory. With the help of phenomenological response functions, a simple expression for the excess work is found—quantifying the nonequilibrium excitations. For two specific examples, i.e., the quantum parametric oscillator and the spin 1/2 in a time-dependent magnetic field, we show that finite-time zeros of the excess work indicate the existence of shortcuts. Finally, we propose a degenerate family of protocols, which facilitates shortcuts to adiabaticity for specific and very short driving times.
Adiabatic quantum optimization for associative memory recall
Seddiqi, Hadayat; Humble, Travis S.
2014-12-22
Hopfield networks are a variant of associative memory that recall patterns stored in the couplings of an Ising model. Stored memories are conventionally accessed as fixed points in the network dynamics that correspond to energetic minima of the spin state. We show that memories stored in a Hopfield network may also be recalled by energy minimization using adiabatic quantum optimization (AQO). Numerical simulations of the underlying quantum dynamics allow us to quantify AQO recall accuracy with respect to the number of stored memories and noise in the input key. We investigate AQO performance with respect to how memories are storedmore » in the Ising model according to different learning rules. Our results demonstrate that AQO recall accuracy varies strongly with learning rule, a behavior that is attributed to differences in energy landscapes. Consequently, learning rules offer a family of methods for programming adiabatic quantum optimization that we expect to be useful for characterizing AQO performance.« less
Adiabatic quantum optimization for associative memory recall
Seddiqi, Hadayat; Humble, Travis S.
2014-12-22
Hopfield networks are a variant of associative memory that recall patterns stored in the couplings of an Ising model. Stored memories are conventionally accessed as fixed points in the network dynamics that correspond to energetic minima of the spin state. We show that memories stored in a Hopfield network may also be recalled by energy minimization using adiabatic quantum optimization (AQO). Numerical simulations of the underlying quantum dynamics allow us to quantify AQO recall accuracy with respect to the number of stored memories and noise in the input key. We investigate AQO performance with respect to how memories are stored in the Ising model according to different learning rules. Our results demonstrate that AQO recall accuracy varies strongly with learning rule, a behavior that is attributed to differences in energy landscapes. Consequently, learning rules offer a family of methods for programming adiabatic quantum optimization that we expect to be useful for characterizing AQO performance.
Shortcuts to adiabaticity from linear response theory
Acconcia, Thiago V.; Bonança, Marcus V. S.; Deffner, Sebastian
2015-10-23
A shortcut to adiabaticity is a finite-time process that produces the same final state as would result from infinitely slow driving. We show that such shortcuts can be found for weak perturbations from linear response theory. Moreover, with the help of phenomenological response functions, a simple expression for the excess work is found—quantifying the nonequilibrium excitations. For two specific examples, i.e., the quantum parametric oscillator and the spin 1/2 in a time-dependent magnetic field, we show that finite-time zeros of the excess work indicate the existence of shortcuts. We finally propose a degenerate family of protocols, which facilitates shortcuts to adiabaticity for specific and very short driving times.
Shortcuts to adiabaticity from linear response theory
Acconcia, Thiago V.; Bonança, Marcus V. S.; Deffner, Sebastian
2015-10-23
A shortcut to adiabaticity is a finite-time process that produces the same final state as would result from infinitely slow driving. We show that such shortcuts can be found for weak perturbations from linear response theory. Moreover, with the help of phenomenological response functions, a simple expression for the excess work is found—quantifying the nonequilibrium excitations. For two specific examples, i.e., the quantum parametric oscillator and the spin 1/2 in a time-dependent magnetic field, we show that finite-time zeros of the excess work indicate the existence of shortcuts. We finally propose a degenerate family of protocols, which facilitates shortcuts tomore » adiabaticity for specific and very short driving times.« less
Adiabatic Quantization of Andreev Quantum Billiard Levels
NASA Astrophysics Data System (ADS)
Silvestrov, P. G.; Goorden, M. C.; Beenakker, C. W.
2003-03-01
We identify the time T between Andreev reflections as a classical adiabatic invariant in a ballistic chaotic cavity (Lyapunov exponent λ), coupled to a superconductor by an N-mode constriction. Quantization of the adiabatically invariant torus in phase space gives a discrete set of periods Tn, which in turn generate a ladder of excited states ɛnm=(m+1/2)πℏ/Tn. The largest quantized period is the Ehrenfest time T0=λ-1ln(N. Projection of the invariant torus onto the coordinate plane shows that the wave functions inside the cavity are squeezed to a transverse dimension W/(N), much below the width W of the constriction.
Adiabatic state preparation study of methylene
Veis, Libor Pittner, Jiří
2014-06-07
Quantum computers attract much attention as they promise to outperform their classical counterparts in solving certain type of problems. One of them with practical applications in quantum chemistry is simulation of complex quantum systems. An essential ingredient of efficient quantum simulation algorithms are initial guesses of the exact wave functions with high enough fidelity. As was proposed in Aspuru-Guzik et al. [Science 309, 1704 (2005)], the exact ground states can in principle be prepared by the adiabatic state preparation method. Here, we apply this approach to preparation of the lowest lying multireference singlet electronic state of methylene and numerically investigate preparation of this state at different molecular geometries. We then propose modifications that lead to speeding up the preparation process. Finally, we decompose the minimal adiabatic state preparation employing the direct mapping in terms of two-qubit interactions.
Pulse sequences in photoassociation via adiabatic passage
NASA Astrophysics Data System (ADS)
Li, Xuan; Dupre, William; Parker, Gregory A.
2012-07-01
We perform a detailed study of pulse sequences in a photoassociation via adiabatic passage (PAP) process to transfer population from an ensemble of ultracold atomic clouds to a vibrationally cold molecular state. We show that an appreciable final population of ultracold NaCs molecules can be achieved with optimized pulses in either the ‘counter-intuitive’ (tP > tS) or ‘intuitive’ (tP < tS) PAP pulse sequences, with tP and tS denoting the temporal centers of the pump and Stokes pulses, respectively. By investigating the dependence of the reactive yield on pulse sequences, in a wide range of tP-tS, we show that there is not a fundamental preference to either pulse sequence in a PAP process. We explain this no-sequence-preference phenomenon by analyzing a multi-bound model so that an analogy can be drawn to the conventional stimulated Raman adiabatic passage.
Advanced Adiabatic Demagnetization Refrigerators for Continuous Cooling
NASA Technical Reports Server (NTRS)
Chu, Paul C. W.
2004-01-01
The research at Houston was focused on optimizing the design of superconducting magnets for advanced adiabatic demagnetization refrigerators (ADRs), assessing the feasibility of using high temperature superconducting (HTS) magnets in ADRs in the future, and developing techniques to deposit HTS thin and thick films on high strength, low thermal conductivity substrates for HTS magnet leads. Several approaches have been tested for the suggested superconducting magnets.
Computer Code For Turbocompounded Adiabatic Diesel Engine
NASA Technical Reports Server (NTRS)
Assanis, D. N.; Heywood, J. B.
1988-01-01
Computer simulation developed to study advantages of increased exhaust enthalpy in adiabatic turbocompounded diesel engine. Subsytems of conceptual engine include compressor, reciprocator, turbocharger turbine, compounded turbine, ducting, and heat exchangers. Focus of simulation of total system is to define transfers of mass and energy, including release and transfer of heat and transfer of work in each subsystem, and relationship among subsystems. Written in FORTRAN IV.
Siphon flows in isolated magnetic flux tubes. II - Adiabatic flows
NASA Technical Reports Server (NTRS)
Montesinos, Benjamin; Thomas, John H.
1989-01-01
This paper extends the study of steady siphon flows in isolated magnetic flux tubes surrounded by field-free gas to the case of adiabatic flows. The basic equations governing steady adiabatic siphon flows in a thin, isolated magnetic flux tube are summarized, and qualitative features of adiabatic flows in elevated, arched flux tubes are discussed. The equations are then cast in nondimensional form and the results of numerical computations of adiabatic siphon flows in arched flux tubes are presented along with comparisons between isothermal and adiabatic flows. The effects of making the interior of the flux tube hotter or colder than the surrounding atmosphere at the upstream footpoint of the arch is considered. In this case, is it found that the adiabatic flows are qualitatively similar to the isothermal flows, with adiabatic cooling producing quantitative differences. Critical flows can produce a bulge point in the rising part of the arch and a concentration of magnetic flux above the bulge point.
Random matrix model of adiabatic quantum computing
Mitchell, David R.; Adami, Christoph; Lue, Waynn; Williams, Colin P.
2005-05-15
We present an analysis of the quantum adiabatic algorithm for solving hard instances of 3-SAT (an NP-complete problem) in terms of random matrix theory (RMT). We determine the global regularity of the spectral fluctuations of the instantaneous Hamiltonians encountered during the interpolation between the starting Hamiltonians and the ones whose ground states encode the solutions to the computational problems of interest. At each interpolation point, we quantify the degree of regularity of the average spectral distribution via its Brody parameter, a measure that distinguishes regular (i.e., Poissonian) from chaotic (i.e., Wigner-type) distributions of normalized nearest-neighbor spacings. We find that for hard problem instances - i.e., those having a critical ratio of clauses to variables - the spectral fluctuations typically become irregular across a contiguous region of the interpolation parameter, while the spectrum is regular for easy instances. Within the hard region, RMT may be applied to obtain a mathematical model of the probability of avoided level crossings and concomitant failure rate of the adiabatic algorithm due to nonadiabatic Landau-Zener-type transitions. Our model predicts that if the interpolation is performed at a uniform rate, the average failure rate of the quantum adiabatic algorithm, when averaged over hard problem instances, scales exponentially with increasing problem size.
Adiabatic heating in impulsive solar flares
NASA Technical Reports Server (NTRS)
Maetzler, C.; Bai, T.; Crannell, C. J.; Frost, K. J.
1978-01-01
A study is made of adiabatic heating in two impulsive solar flares on the basis of dynamic X-ray spectra in the 28-254 keV range, H-alpha, microwave, and meter-wave radio observations. It is found that the X-ray spectra of the events are like those of thermal bremsstrahlung from single-temperature plasmas in the 10-60 keV range if photospheric albedo is taken into account. The temperature-emission correlation indicates adiabatic compression followed by adiabatic expansion and that the electron distribution remains isotropic. H-alpha data suggest compressive energy transfer. The projected areas and volumes of the flares are estimated assuming that X-ray and microwave emissions are produced in a single thermal plasma. Electron densities of about 10 to the 9th/cu cm are found for homogeneous, spherically symmetric sources. It is noted that the strong self-absorption of hot-plasma gyrosynchrotron radiation reveals low magnetic field strengths.
Aspects of adiabatic population transfer and control
NASA Astrophysics Data System (ADS)
Demirplak, Mustafa
This thesis explores two different questions. The first question we answer is how to restore a given population transfer scenario given that it works efficiently in the adiabatic limit but fails because of lack of intensity and/or short duration. We derive a very simple algorithm to do this and apply it to both toy and realistic models. Two results emerge from this study. While the mathematical existence of the programme is certain it might not always be physically desirable. The restoration of adiabaticity is phase sensitive. The second question that is answered in this thesis is not how to invent new control paradigms, but rather what would happen to them in the presence of stochastic perturbers. We first use a phenomenological model to study the effect of stochastic dephasing on population transfer by stimulated Raman adiabatic passage. The results of this Monte Carlo calculation are qualitatively explained with a perturbation theoretical result in the dressed state basis. The reliability of our phenomenological model is questioned through a more rigorous hybrid quantal-classical simulation of controlled population transfer in HCl in Ar.
Non-adiabatic effect on quantum pumping
NASA Astrophysics Data System (ADS)
Uchiyama, Chikako
2014-03-01
We study quantum pumping for an anharmonic junction model which interacts with two kinds of bosonic environments. We provide an expression for the quantum pumping under a piecewise modulation of environmental temperatures with including non-adiabatic effect under Markovian approximation. The obtained formula is an extension of the one expressed with the geometrical phase(Phys. Rev. Lett. 104,170601 (2010)). This extension shows that the quantum pumping depends on the initial condition of the anharmonic junction just before the modulation, as well as the characteristic environmental parameters such as interaction strength and cut-off frequencies of spectral density other than the conditions of modulation. We clarify that the pumping current including non-adiabatic effect can be larger than that under the adiabatic condition. This means that we can find the optimal condition of the current by adjusting these parameters. (The article has been submitted as http://arxiv.org/submit/848201 and will be appeared soon.) This work is supported by a Grant-in-Aid for Scientific Research (B) (KAKENHI 25287098).
An adiabatic approximation for grain alignment theory
NASA Astrophysics Data System (ADS)
Roberge, W. G.
1997-10-01
The alignment of interstellar dust grains is described by the joint distribution function for certain `internal' and `external' variables, where the former describe the orientation of the axes of a grain with respect to its angular momentum, J, and the latter describe the orientation of J relative to the interstellar magnetic field. I show how the large disparity between the dynamical time-scales of the internal and external variables - which is typically 2-3 orders of magnitude - can be exploited to simplify calculations of the required distribution greatly. The method is based on an `adiabatic approximation' which closely resembles the Born-Oppenheimer approximation in quantum mechanics. The adiabatic approximation prescribes an analytic distribution function for the `fast' dynamical variables and a simplified Fokker-Planck equation for the `slow' variables which can be solved straightforwardly using various techniques. These solutions are accurate to O(epsilon), where epsilon is the ratio of the fast and slow dynamical time-scales. As a simple illustration of the method, I derive an analytic solution for the joint distribution established when Barnett relaxation acts in concert with gas damping. The statistics of the analytic solution agree with the results of laborious numerical calculations which do not exploit the adiabatic approximation.
An Adiabatic Approximation for Grain Alignment Theory
NASA Astrophysics Data System (ADS)
Roberge, W. G.
1997-12-01
The alignment of interstellar dust grains is described by the joint distribution function for certain ``internal'' and ``external'' variables, where the former describe the orientation of a grain's axes with respect to its angular momentum, J, and the latter describe the orientation of J relative to the interstellar magnetic field. I show how the large disparity between the dynamical timescales of the internal and external variables--- which is typically 2--3 orders of magnitude--- can be exploited to greatly simplify calculations of the required distribution. The method is based on an ``adiabatic approximation'' which closely resembles the Born-Oppenheimer approximation in quantum mechanics. The adiabatic approximation prescribes an analytic distribution function for the ``fast'' dynamical variables and a simplified Fokker-Planck equation for the ``slow'' variables which can be solved straightforwardly using various techniques. These solutions are accurate to cal {O}(epsilon ), where epsilon is the ratio of the fast and slow dynamical timescales. As a simple illustration of the method, I derive an analytic solution for the joint distribution established when Barnett relaxation acts in concert with gas damping. The statistics of the analytic solution agree with the results of laborious numerical calculations which do not exploit the adiabatic approximation.
Many-polaron description of impurities in a Bose-Einstein condensate in the weak-coupling regime
Casteels, W.; Devreese, J. T.; Tempere, J.
2011-12-15
The weak-coupling many-polaron formalism is applied to the case of the polaronic system consisting of impurities in a Bose-Einstein condensate. This allows investigating the ground-state properties and the response of the system to Bragg spectroscopy. Then, this theory is applied to the system of spin-polarized fermionic lithium-6 impurities in a sodium condensate. The Bragg spectrum reveals a peak that corresponds to the emission of Bogoliubov excitations. Both the ground-state properties and the response spectrum show that the polaronic effect vanishes at high densities. We also look at two possibilities to define the polaronic effective mass and observe that this results in a different quantitative behavior if multiple impurities are involved.
NASA Astrophysics Data System (ADS)
Liu, Jia; Xiao, Jing-Ling
2006-10-01
We study theoretically the ground state energy of a polaron near the interface of a polar-polar semiconductor by considering the Rashba spin-orbit (SO) coupling with the Lee-Low-Pines intermediate coupling method. Our numerical results show that the Rashba SO interaction originating from the inversion asymmetry in the heterostructure splits the ground state energy of the polaron. The electron areal density and vector dependence of the ratio of the SO interaction to the total ground state energy or other energy composition are obvious. One can see that even without any external magnetic field, the ground state energy can be split by the Rashba SO interaction, and this split is not a single but a complex one. Since the presents of the phonons, whose energy gives negative contribution to the polaron's, the spin-splitting states of the polaron are more stable than electron's.
NASA Astrophysics Data System (ADS)
Xu, Dazhi; Cao, Jianshu
2016-08-01
The concept of polaron, emerged from condense matter physics, describes the dynamical interaction of moving particle with its surrounding bosonic modes. This concept has been developed into a useful method to treat open quantum systems with a complete range of system-bath coupling strength. Especially, the polaron transformation approach shows its validity in the intermediate coupling regime, in which the Redfield equation or Fermi's golden rule will fail. In the polaron frame, the equilibrium distribution carried out by perturbative expansion presents a deviation from the canonical distribution, which is beyond the usual weak coupling assumption in thermodynamics. A polaron transformed Redfield equation (PTRE) not only reproduces the dissipative quantum dynamics but also provides an accurate and efficient way to calculate the non-equilibrium steady states. Applications of the PTRE approach to problems such as exciton diffusion, heat transport and light-harvesting energy transfer are presented.
Jumps of adiabatic invariant at the separatrix of a degenerate saddle point.
Artemyev, A V; Neishtadt, A I; Zelenyi, L M
2011-12-01
We consider a slow-fast Hamiltonian system with two degrees of freedom. One degree of freedom corresponds to slow variables, and the other one corresponds to fast variables. A characteristic ratio of the rates of change of slow and fast variables is a small parameter κ. For every fixed value of the slow variables, in the phase portrait of the fast variables there are a saddle point and separatrices passing through it. When the slow variables change, phase points may cross the separatrices. The action variable of the fast motion is an adiabatic invariant of the full system as long as a trajectory is far from the separatrices: value of the adiabatic invariant is conserved with an accuracy of order of κ on time intervals of order of 1/κ. A passage through a narrow neighborhood of the separatrices results in a jump of the adiabatic invariant. We consider a case when the saddle point is degenerate. We derive an asymptotic formula for the jump of the adiabatic invariant which turns out to be a value of order of κ(3/4) (in the case of a non-degenarate saddle point a similar jump is known to be a value of order of κ). Accumulation of these jumps after many consecutive separatrix crossings leads to the "diffusion" of the adiabatic invariant and chaotic dynamics. We verify the analytical expression for the jump of the adiabatic invariant by numerical simulations. We discuss application of the obtained results to the description of charged particle dynamics in the Earth magnetosphere. PMID:22225357
Novel latch for adiabatic quantum-flux-parametron logic
Takeuchi, Naoki Yamanashi, Yuki; Yoshikawa, Nobuyuki; Ortlepp, Thomas
2014-03-14
We herein propose the quantum-flux-latch (QFL) as a novel latch for adiabatic quantum-flux-parametron (AQFP) logic. A QFL is very compact and compatible with AQFP logic gates and can be read out in one clock cycle. Simulation results revealed that the QFL operates at 5 GHz with wide parameter margins of more than ±22%. The calculated energy dissipation was only ∼0.1 aJ/bit, which yields a small energy delay product of 20 aJ·ps. We also designed shift registers using QFLs to demonstrate more complex circuits with QFLs. Finally, we experimentally demonstrated correct operations of the QFL and a 1-bit shift register (a D flip-flop)
Adiabatic invariants in stellar dynamics. 1: Basic concepts
NASA Technical Reports Server (NTRS)
Weinberg, Martin D.
1994-01-01
The adiabatic criterion, widely used in astronomical dynamics, is based on the harmonic oscillator. It asserts that the change in action under a slowly varying perturbation is exponentially small. Recent mathematical results that precisely define the conditions for invariance show that this model does not apply in general. In particular, a slowly varying perturbation may cause significant evolution stellar dynamical systems even if its time scale is longer than any internal orbital time scale. This additional 'heating' may have serious implications for the evolution of star clusters and dwarf galaxies which are subject to long-term environmental forces. The mathematical developments leading to these results are reviewed, and the conditions for applicability to and further implications for stellar systems are discussed. Companion papers present a computational method for a general time-dependent disturbance and detailed example.
Multiphoton Raman Atom Optics with Frequency-Swept Adiabatic Passage
NASA Astrophysics Data System (ADS)
Kotru, Krish; Butts, David; Kinast, Joseph; Stoner, Richard
2016-05-01
Light-pulse atom interferometry is a promising candidate for future inertial navigators, gravitational wave detectors, and measurements of fundamental physical constants. The sensitivity of this technique, however, is often limited by the small momentum separations created between interfering atom wave packets (typically ~ 2 ℏk) . We address this issue using light-pulse atom optics derived from stimulated Raman transitions and frequency-swept adiabatic rapid passage (ARP). In experiments, these Raman ARP atom optics have generated up to 30 ℏk photon recoil momenta in an acceleration-sensitive atom interferometer, thereby enhancing the phase shift per unit acceleration by a factor of 15. Since this approach forgoes evaporative cooling and velocity selection, it could enable large-area atom interferometry at higher data rates, while also lowering the atom shot-noise-limited measurement uncertainty.
Conventional versus unconventional magnetic polarons: ZnMnTe/ZnSe and ZnTe/ZnMnSe quantum dots
NASA Astrophysics Data System (ADS)
Barman, B.; Tsai, Y.; Scrace, T.; Murphy, J. R.; Cartwright, A. N.; Pientka, J. M.; Zutic, I.; McCombe, B. D.; Petrou, A.; Sellers, I. R.; Oszwaldowski, R.; Petukhov, A.; Fan, W. C.; Chou, W. C.; Yang, C. S.
2014-08-01
We used time resolved photoluminescence (TRPL) spectroscopy to compare the properties of magnetic polarons in two related, spatially indirect, II-VI epitaxially grown quantum dot systems. In sample A (ZnMnTe/ZnSe), the photoexcited holes are confined in the magnetic ZnMnTe quantum dots (QDs), while the electrons remain in the surrounding non-magnetic ZnSe matrix. In sample B (ZnTe/ZnMnSe) on the other hand, the holes are confined in the non-magnetic ZnTe QDs and the electrons move in the magnetic ZnMnSe matrix. The magnetic polaron formation energies, EMP , in these samples were measured from the temporal red-shift of the excitonic emission peak. The magnetic polarons in the two samples exhibit distinct characteristics. In sample A, the magnetic polaron is strongly bound with EMP=35 meV. Furthermore, EMP has unconventionally weak dependence of on both temperature T and magnetic field Bappl . In contrast, magnetic polarons in sample B show conventional characteristics with EMP decreasing with increasing temperature and increasing external magnetic field. We attribute the difference in magnetic polaron properties between the two types of QDs to the difference in the location of the Mn ions in the respective structures.
Renormalization group approach to the Fröhlich polaron model: application to impurity-BEC problem
Grusdt, F.; Shchadilova, Y. E.; Rubtsov, A. N.; Demler, E.
2015-01-01
When a mobile impurity interacts with a many-body system, such as a phonon bath, a polaron is formed. Despite the importance of the polaron problem for a wide range of physical systems, a unified theoretical description valid for arbitrary coupling strengths is still lacking. Here we develop a renormalization group approach for analyzing a paradigmatic model of polarons, the so-called Fröhlich model, and apply it to a problem of impurity atoms immersed in a Bose-Einstein condensate of ultra cold atoms. Polaron energies obtained by our method are in excellent agreement with recent diagrammatic Monte Carlo calculations for a wide range of interaction strengths. They are found to be logarithmically divergent with the ultra-violet cut-off, but physically meaningful regularized polaron energies are also presented. Moreover, we calculate the effective mass of polarons and find a smooth crossover from weak to strong coupling regimes. Possible experimental tests of our results in current experiments with ultra cold atoms are discussed. PMID:26183614
Renormalization group approach to the Fröhlich polaron model: application to impurity-BEC problem.
Grusdt, F; Shchadilova, Y E; Rubtsov, A N; Demler, E
2015-01-01
When a mobile impurity interacts with a many-body system, such as a phonon bath, a polaron is formed. Despite the importance of the polaron problem for a wide range of physical systems, a unified theoretical description valid for arbitrary coupling strengths is still lacking. Here we develop a renormalization group approach for analyzing a paradigmatic model of polarons, the so-called Fröhlich model, and apply it to a problem of impurity atoms immersed in a Bose-Einstein condensate of ultra cold atoms. Polaron energies obtained by our method are in excellent agreement with recent diagrammatic Monte Carlo calculations for a wide range of interaction strengths. They are found to be logarithmically divergent with the ultra-violet cut-off, but physically meaningful regularized polaron energies are also presented. Moreover, we calculate the effective mass of polarons and find a smooth crossover from weak to strong coupling regimes. Possible experimental tests of our results in current experiments with ultra cold atoms are discussed. PMID:26183614
Renormalization group approach to the Fröhlich polaron model: application to impurity-BEC problem
NASA Astrophysics Data System (ADS)
Grusdt, F.; Shchadilova, Y. E.; Rubtsov, A. N.; Demler, E.
2015-07-01
When a mobile impurity interacts with a many-body system, such as a phonon bath, a polaron is formed. Despite the importance of the polaron problem for a wide range of physical systems, a unified theoretical description valid for arbitrary coupling strengths is still lacking. Here we develop a renormalization group approach for analyzing a paradigmatic model of polarons, the so-called Fröhlich model, and apply it to a problem of impurity atoms immersed in a Bose-Einstein condensate of ultra cold atoms. Polaron energies obtained by our method are in excellent agreement with recent diagrammatic Monte Carlo calculations for a wide range of interaction strengths. They are found to be logarithmically divergent with the ultra-violet cut-off, but physically meaningful regularized polaron energies are also presented. Moreover, we calculate the effective mass of polarons and find a smooth crossover from weak to strong coupling regimes. Possible experimental tests of our results in current experiments with ultra cold atoms are discussed.
Phase relations and adiabats in boiling seafloor geothermal systems
NASA Astrophysics Data System (ADS)
Bischoff, James L.; Pitzer, Kenneth S.
1985-11-01
Observations of large salinity variations and vent temperatures in the range of 380-400°C suggest that boiling or two-phase separation may be occurring in some seafloor geothermal systems. Consideration of flow rates and the relatively small differences in density between vapors and liquids at the supercritical pressures at depth in these systems suggests that boiling is occurring under closed-system conditions. Salinity and temperature of boiling vents can be used to estimate the pressure-temperature point in the subsurface at which liquid seawater first reached the two-phase boundary. Data are reviewed to construct phase diagrams of coexisting brines and vapors in the two-phase region at pressures corresponding to those of the seafloor geothermal systems. A method is developed for calculating the enthalpy and entropy of the coexisting mixtures, and results are used to construct adiabats from the seafloor to the P-T two-phase boundary. Results for seafloor vents discharging at 2300 m below sea level indicate that a 385°C vent is composed of a brine (7% NaCl equivalent) in equilibrium with a vapor (0.1% NaCl). Brine constitutes 45% by weight of the mixture, and the fluid first boiled at approximately 1 km below the seafloor at 415°C, 330 bar. A 400°C vent is primarily vapor (88 wt.%, 0.044% NaCl) with a small amount of brine (26% NaCl) and first boiled at 2.9 km below the seafloor at 500°C, 520 bar. These results show that adiabatic decompression in the two-phase region results in dramatic cooling of the fluid mixture when there is a large fraction of vapor.
Finite-temperature Wigner solid and other phases of ripplonic polarons on a helium film
NASA Astrophysics Data System (ADS)
Klimin, Serghei N.; Tempere, Jacques; Misko, Vyacheslav R.; Wouters, Michiel
2016-07-01
Electrons on liquid helium can form different phases depending on density, and temperature. Also the electron-ripplon coupling strength influences the phase diagram, through the formation of so-called "ripplonic polarons", that change how electrons are localized, and that shifts the transition between the Wigner solid and the liquid phase. We use an all-coupling, finite-temperature variational method to study the formation of a ripplopolaron Wigner solid on a liquid helium film for different regimes of the electron-ripplon coupling strength. In addition to the three known phases of the ripplopolaron system (electron Wigner solid, polaron Wigner solid, and electron fluid), we define and identify a fourth distinct phase, the ripplopolaron liquid. We analyse the transitions between these four phases and calculate the corresponding phase diagrams. This reveals a reentrant melting of the electron solid as a function of temperature. The calculated regions of existence of the Wigner solid are in agreement with recent experimental data.
Spin Relaxation of an Impurity Polaron in a Parabolic Quantum Dot
NASA Astrophysics Data System (ADS)
Li, Zhi-Xin
2015-01-01
We have studied theoretically the spin relaxation of an impurity polaron, which arises from the electron interactions with the longitudinal optical phonon between the sublevel Zeeman splitting of the ground-state, by employing a variational method for a parabolic quantum dot (QD). In fact, this process occurs by the absorption of a deformation potential acoustic phonon. With Rashba spin-orbit coupling, the expression of the spin relaxation rate of an impurity polaron as functions of the radius of QD, the Lande factor parameter, the magnetic field adjusting length has been derived. Results of the numerical calculation show that the spin relaxation rate decreases with increasing the radius of QD and enlarges with increasing the magnetic field adjusting length when the magnetic field adjusting length . In addition, we find that the spin relaxation rate is an increasing function of the Lande factor parameter.
Reducing exciton-polaron annihilation in organic planar heterojunction solar cells
NASA Astrophysics Data System (ADS)
Verreet, Bregt; Bhoolokam, Ajay; Brigeman, Alyssa; Dhanker, Rijul; Cheyns, David; Heremans, Paul; Stesmans, Andre; Giebink, Noel C.; Rand, Barry P.
2014-09-01
We investigate the relationship between charge concentration, exciton concentration, and photocurrent generation in fullerene-containing heterojunction diodes. Impedance measurements on C60 diodes reveal a charge buildup at the C60/bathocuproine (BCP) interface that can be swept out under reverse bias. In solar cell structures, a similar charge buildup is observed in dark conditions, and increases as a function of incident light intensity. Photoluminescence measurements reveal that the C60 exciton concentration is voltage dependent, explained via the process of exciton-polaron annihilation. This process has a negative impact on the generated photocurrent of the solar cells and thereby decreases the fill factor. A combination of electroabsorption, photoluminescence, and impedance measurements reveal a decrease in charge buildup and the associated exciton-polaron annihilation through the use of a BCP/3,4,9,10-perylenetetracarboxylic bis-benzimidazole/Ag cathode.
Polaron Coherence Condensation As the Mechanism for Colossal Magnetoresistance in Layered Manganites
Mannella, N.; Yang, W.L.; Tanaka, K.; Zhou, X.J.; Zheng, H.; Mitchell, J.F.; Zaanen, J.; Devereaux, T.P.; Nagaosa, N.; Hussain, Z.; Shen, Z.-X.; /SLAC
2007-11-20
Angle-resolved photoemission spectroscopy data for the bilayer manganite La{sub 1.2}Sr{sub 1.8}Mn{sub 2}O{sub 7} show that, upon lowering the temperature below the Curie point, a coherent polaronic metallic groundstate emerges very rapidly with well defined quasiparticles which track remarkably well the electrical conductivity, consistent with macroscopic transport properties. Our data suggest that the mechanism leading to the insulator-to-metal transition in La{sub 1.2}Sr{sub 1.8}Mn{sub 2}O{sub 7} can be regarded as a polaron coherence condensation process acting in concert with the Double Exchange interaction.
Negative Polaron and Triplet Exciton Diffusion inOrganometallic “Molecular Wires”
Schanze, K.S.; Miller, J.; Keller, J.M.; Sean McIlroy, S.; Sreearuothai, P.; Danilov, E.O.; Jiang, H.; Glusac, K.D.; Miller, J.R.
2011-07-27
The dynamics of negative polaron and triplet exciton transport within a series of monodisperse platinum (Pt) acetylide oligomers is reported. The oligomers consist of Pt-acetylide repeats, [PtL{sub 2}-C {triple_bond} C-Ph-C {triple_bond} C-]{sub n} (where L = PBu{sub 3} and Ph = 1,4-phenylene, n = 2, 3, 6, and 10), capped with naphthalene diimide (NDI) end groups. The Pt-acetylide segments are electro- and photoactive, and they serve as conduits for transport of electrons (negative polaron) and triplet excitons. The NDI end groups are relatively strong acceptors, serving as traps for the carriers. Negative polaron transport is studied by using pulse radiolysis/transient absorption at the Brookhaven National Laboratory Laser-Electron Accelerator Facility (LEAF). Electrons are rapidly attached to the oligomers, with some fraction initially residing upon the Pt-acetylide chains. The dynamics of transport are resolved by monitoring the spectral changes associated with transfer of electrons from the chain to the NDI end group. Triplet exciton transport is studied by femtosecond-picosecond transient absorption spectroscopy. Near-UV excitation leads to rapid production of triplet excitons localized on the Pt-acetylide chains. The excitons transport to the chain ends, where they are annihilated by charge separation with the NDI end group. The dynamics of triplet transport are resolved by transient absorption spectroscopy, taking advantage of the changes in spectra associated with decay of the triplet exciton and rise of the charge-separated state. The results indicate that negative polarons and excitons are transported rapidly, on average moving distances of 3 nm in less than 200 ps. Analysis of the dynamics suggests diffusive transport by a site-to-site hopping mechanism with hopping times of 27 ps for triplets and <10 ps for electrons.
Polaron-like vortices, dissociation transition, and self-induced pinning in magnetic superconductors
Bulaevskii, L. N. Lin, S.-Z.
2013-09-15
Vortices in magnetic superconductors polarize spins nonuniformly and repolarize them when moving. At a low spin relaxation rate and at low bias currents, vortices carrying magnetic polarization clouds become polaron-like and their velocities are determined by the effective drag coefficient that is significantly bigger than the Bardeen-Stephen (BS) one. As the current increases, vortices release polarization clouds and the velocity as well as the voltage in the I-V characteristics jump to values corresponding to the BS drag coefficient at a critical current J{sub c}. The nonuniform components of the magnetic field and magnetization drop as the velocity increases, resulting in weaker polarization and a discontinuous dynamic dissociation depinning transition. Experimentally, the jump shows up as a depinning transition and the corresponding current at the jump is the depinning current. As the current decreases, on the way back, vortices are retrapped by polarization clouds at the current J{sub r} < J{sub c}. As a result, the polaronic effect suppresses dissipation and enhances the critical current. Borocarbides (RE)Ni{sub 2}B{sub 2}C with a short penetration length and highly polarizable rare earth spins seem to be optimal systems for a detailed study of vortex polaron formation by measuring I-V characteristics. We also propose to use a superconductor-magnet multilayer structure to study polaronic mechanism of pinning with the goal to achieve high critical currents. The magnetic layers should have large magnetic susceptibility to enhance the coupling between vortices and magnetization in magnetic layers while the relaxation of the magnetization should be slow. For Nb and a proper magnet multilayer structure, we estimate the critical current density J{sub c} {approx} 10{sup 9} A/m{sup 2} at the magnetic field B Almost-Equal-To 1 T.
Bond selective chemistry beyond the adiabatic approximation
Butler, L.J.
1993-12-01
One of the most important challenges in chemistry is to develop predictive ability for the branching between energetically allowed chemical reaction pathways. Such predictive capability, coupled with a fundamental understanding of the important molecular interactions, is essential to the development and utilization of new fuels and the design of efficient combustion processes. Existing transition state and exact quantum theories successfully predict the branching between available product channels for systems in which each reaction coordinate can be adequately described by different paths along a single adiabatic potential energy surface. In particular, unimolecular dissociation following thermal, infrared multiphoton, or overtone excitation in the ground state yields a branching between energetically allowed product channels which can be successfully predicted by the application of statistical theories, i.e. the weakest bond breaks. (The predictions are particularly good for competing reactions in which when there is no saddle point along the reaction coordinates, as in simple bond fission reactions.) The predicted lack of bond selectivity results from the assumption of rapid internal vibrational energy redistribution and the implicit use of a single adiabatic Born-Oppenheimer potential energy surface for the reaction. However, the adiabatic approximation is not valid for the reaction of a wide variety of energetic materials and organic fuels; coupling between the electronic states of the reacting species play a a key role in determining the selectivity of the chemical reactions induced. The work described below investigated the central role played by coupling between electronic states in polyatomic molecules in determining the selective branching between energetically allowed fragmentation pathways in two key systems.
Resistive transition, polaron dynamics and scaling behavior in Fe doped SrTiO3
NASA Astrophysics Data System (ADS)
Ghosh, Arijit; Masud, Md. G.; Sannigrahi, Jhuma; Chaudhuri, B. K.
2013-04-01
Temperature dependent electrical transport (ac and dc) and dielectric measurements have been performed with SrFexTi(1-x)O3 (0≤x≤1.0) samples prepared by ceramic route. Metal-insulator like transition observed depending on doping concentration. High dc resistivity of the present system is due to localization of polaronic charge carriers and the dc resistivity data, above respective TMI, fit well with Mott's variable range hopping, Arrhenius conduction mechanism, while a power law nature is followed below TMI. The charge transport mechanism is also revealed from the scaled ac conductivity and dielectric modulus spectrum. The MI transition is considered to be associated with polaron dissociation occurring little below polaron ordering (PO) temperature, TPO. The samples also indicate a cross-over from universal dielectric response (UDR) (f<105 Hz) to second universality (SU) (f>105 Hz). This cross over as well as MI like transition temperature shift towards the lower temperature regime with increasing x.
Mapping polarons in polymer FETs by charge modulation microscopy in the mid-infrared
NASA Astrophysics Data System (ADS)
Chin, Xin Yu; Yin, Jun; Wang, Zilong; Caironi, Mario; Soci, Cesare
2014-01-01
We implemented spatial mapping of charge carrier density in the channel of a conventional polymer Field-Effect Transistor (FET) by mid-infrared Charge Modulation Spectroscopy (CMS). CMS spectra are recorded with a high sensitivity confocal Fourier Transform Infra-Red (FTIR) microscope by probing electroinduced Infra-Red Active Vibrational (IRAV) modes and low-energy polaron bands in the spectral region 680-4000 cm-1. Thanks to the high specificity and strong oscillator strength of these modes, charge-induced reflectance measurements allow quantitative estimation of charge carrier densities within the FET channel, without the need for amplitude or phase modulation. This is illustrated by identifying the contribution of intrinsic and electrostatically induced polarons to conduction, and by mapping the polaron spatial distribution in a P3HT (Poly(3-hexylthiophene-2,5-diyl)) FET channel under different drain-source bias conditions. This work demonstrates the potential of mid-infrared charge modulation microscopy to characterize carrier injection and transport in semiconducting polymer materials.
Mapping polarons in polymer FETs by charge modulation microscopy in the mid-infrared
Chin, Xin Yu; Yin, Jun; Wang, Zilong; Caironi, Mario; Soci, Cesare
2014-01-01
We implemented spatial mapping of charge carrier density in the channel of a conventional polymer Field-Effect Transistor (FET) by mid-infrared Charge Modulation Spectroscopy (CMS). CMS spectra are recorded with a high sensitivity confocal Fourier Transform Infra-Red (FTIR) microscope by probing electroinduced Infra-Red Active Vibrational (IRAV) modes and low-energy polaron bands in the spectral region 680–4000 cm−1. Thanks to the high specificity and strong oscillator strength of these modes, charge-induced reflectance measurements allow quantitative estimation of charge carrier densities within the FET channel, without the need for amplitude or phase modulation. This is illustrated by identifying the contribution of intrinsic and electrostatically induced polarons to conduction, and by mapping the polaron spatial distribution in a P3HT (Poly(3-hexylthiophene-2,5-diyl)) FET channel under different drain-source bias conditions. This work demonstrates the potential of mid-infrared charge modulation microscopy to characterize carrier injection and transport in semiconducting polymer materials. PMID:24406635
DFT +U Modeling of Hole Polarons in Organic Lead Halide Perovskites
NASA Astrophysics Data System (ADS)
Welch, Eric; Erhart, Paul; Scolfaro, Luisa; Zakhidov, Alex
Due to the ever present drive towards improved efficiencies in solar cell technology, new and improved materials are emerging rapidly. Organic halide perovskites are a promising prospect, yet a fundamental understanding of the organic perovskite structure and electronic properties is missing. Particularly, explanations of certain physical phenomena, specifically a low recombination rate and high mobility of charge carriers still remain controversial. We theoretically investigate possible formation of hole polarons adopting methodology used for oxide perovskites. The perovskite studied here is the ABX3structure, with A being an organic cation, B lead and C a halogen; the combinations studied allow for A1,xA2 , 1 - xBX1,xX2 , 3 - xwhere the alloy convention is used to show mixtures of the organic cations and/or the halogens. Two organic cations, methylammonium and formamidinium, and three halogens, iodine, chlorine and bromine are studied. Electronic structures and polaron behavior is studied through first principle density functional theory (DFT) calculations using the Vienna Ab Initio Simulation Package (VASP). Local density approximation (LDA) pseudopotentials are used and a +U Hubbard correction of 8 eV is added; this method was shown to work with oxide perovskites. It is shown that a localized state is realized with the Hubbard correction in systems with an electron removed, residing in the band gap of each different structure. Thus, hole polarons are expected to be seen in these perovskites.
Rawson, Jeff; Angiolillo, Paul J; Frail, Paul R; Goodenough, Isabella; Therien, Michael J
2015-06-18
Electron spin resonance (ESR) spectroscopic line shape analysis and continuous-wave (CW) progressive microwave power saturation experiments are used to probe the relaxation behavior and the relaxation times of charged excitations (hole and electron polarons) in meso-to-meso ethyne-bridged (porphinato)zinc(II) oligomers (PZnn compounds), which can serve as models for the relevant states generated upon spin injection. The observed ESR line shapes for the PZnn hole polaron ([PZnn](+•)) and electron polaron ([PZnn](-•)) states evolve from Gaussian to more Lorentzian as the oligomer length increases from 1.9 to 7.5 nm, with solution-phase [PZnn](+•) and [PZnn](-•) spin-spin (T2) and spin-lattice (T1) relaxation times at 298 K ranging, respectively, from 40 to 230 ns and 0.2 to 2.3 μs. Notably, these very long relaxation times are preserved in thick films of these species. Because the magnitudes of spin-spin and spin-lattice relaxation times are vital metrics for spin dephasing in quantum computing or for spin-polarized transport in magnetoresistive structures, these results, coupled with the established wire-like transport behavior across metal-dithiol-PZnn-metal junctions, present meso-to-meso ethyne-bridged multiporphyrin systems as leading candidates for ambient-temperature organic spintronic applications. PMID:25697578
Phase avalanches in near-adiabatic evolutions
Vertesi, T.; Englman, R.
2006-02-15
In the course of slow, nearly adiabatic motion of a system, relative changes in the slowness can cause abrupt and high magnitude phase changes, ''phase avalanches,'' superimposed on the ordinary geometric phases. The generality of this effect is examined for arbitrary Hamiltonians and multicomponent (>2) wave packets and is found to be connected (through the Blaschke term in the theory of analytic signals) to amplitude zeros in the lower half of the complex time plane. Motion on a nonmaximal circle on the Poincare-sphere suppresses the effect. A spectroscopic transition experiment can independently verify the phase-avalanche magnitudes.
Adiabatic chaos in the spin orbit problem
NASA Astrophysics Data System (ADS)
Benettin, Giancarlo; Guzzo, Massimiliano; Marini, Valerio
2008-05-01
We provide evidences that the angular momentum of a symmetric rigid body in a spin orbit resonance can perform large scale chaotic motions on time scales which increase polynomially with the inverse of the oblateness of the body. This kind of irregular precession appears as soon as the orbit of the center of mass is non-circular and the angular momentum of the body is far from the principal directions with minimum (maximum) moment of inertia. We also provide a quantitative explanation of these facts by using the theory of adiabatic invariants, and we provide numerical applications to the cases of the 1:1 and 1:2 spin orbit resonances.
Experimental breaking of an adiabatic invariant
NASA Astrophysics Data System (ADS)
Notte, J.; Fajans, J.; Chu, R.; Wurtele, J. S.
1993-06-01
When a cylindrical pure electron plasma is displaced from the center of the trap, it performs a bulk circular orbital motion known as the l=1 diocotron mode. The slow application of a perturbing potential to a patch on the trap wall distorts the orbit into a noncircular closed path. Experiments and a simple theoretical model indicate that the area by the loop is an adiabatic invariant. Detailed studies are made of the breaking of the invariant when perturbations are rapidly applied. When the perturbation is applied with discontinuous time derivatives, the invariant breaking greatly exceeds the predictions of the standard theory for smooth perturbations.
[Bond selective chemistry beyond the adiabatic approximation
Butler, L.J.
1993-02-28
The adiabatic Born-Oppenheimer potential energy surface approximation is not valid for reaction of a wide variety of energetic materials and organic fuels; coupling between electronic states of reacting species plays a key role in determining the selectivity of the chemical reactions induced. This research program initially studies this coupling in (1) selective C-Br bond fission in 1,3- bromoiodopropane, (2) C-S:S-H bond fission branching in CH[sub 3]SH, and (3) competition between bond fission channels and H[sub 2] elimination in CH[sub 3]NH[sub 2].
Adiabatic demagnetization refrigerator for space use
NASA Technical Reports Server (NTRS)
Serlemitsos, A. T.; Warner, B. A.; Castles, S.; Breon, S. R.; San Sebastian, M.; Hait, T.
1990-01-01
An Adiabatic Demagnetization Refrigerator (ADR) for space use is under development at NASA's Goddard Space Flight Center (GSFC). The breadboard ADR operated at 100 mK for 400 minutes. Some significant changes to that ADR, designed to eliminate shortcomings revealed during tests, are reported. To increase thermal contact, the ferric ammonium sulfate crystals were grown directly on gold-plated copper wires which serve as the thermal bus. The thermal link to the X-ray sensors was also markedly improved. To speed up the testing required to determine the best design parameters for the gas gap heat switch, the new heat switch has a modular design and is easy to disassemble.
Generalized Ramsey numbers through adiabatic quantum optimization
NASA Astrophysics Data System (ADS)
Ranjbar, Mani; Macready, William G.; Clark, Lane; Gaitan, Frank
2016-06-01
Ramsey theory is an active research area in combinatorics whose central theme is the emergence of order in large disordered structures, with Ramsey numbers marking the threshold at which this order first appears. For generalized Ramsey numbers r(G, H), the emergent order is characterized by graphs G and H. In this paper we: (i) present a quantum algorithm for computing generalized Ramsey numbers by reformulating the computation as a combinatorial optimization problem which is solved using adiabatic quantum optimization; and (ii) determine the Ramsey numbers r({{T}}m,{{T}}n) for trees of order m,n = 6,7,8 , most of which were previously unknown.
Local entanglement generation in the adiabatic regime
Cliche, M.; Veitia, Andrzej
2010-09-15
We study entanglement generation in a pair of qubits interacting with an initially correlated system. Using time-independent perturbation theory and the adiabatic theorem, we show conditions under which the qubits become entangled as the joint system evolves into the ground state of the interacting theory. We then apply these results to the case of qubits interacting with a scalar quantum field. We study three different variations of this setup; a quantum field subject to Dirichlet boundary conditions, a quantum field interacting with a classical potential, and a quantum field that starts in a thermal state.
Geometry of an adiabatic passage at a level crossing
Cholascinski, Mateusz
2005-06-15
We discuss adiabatic quantum phenomena at a level crossing. Given a path in the parameter space which passes through a degeneracy point, we find a criterion which determines whether the adiabaticity condition can be satisfied. For paths that can be traversed adiabatically we also derive a differential equation which specifies the time dependence of the system parameters, for which transitions between distinct energy levels can be neglected. We also generalize the well-known geometric connections to the case of adiabatic paths containing arbitrarily many level-crossing points and degenerate levels.
Geometrical representation of sum frequency generation and adiabatic frequency conversion
NASA Astrophysics Data System (ADS)
Suchowski, Haim; Oron, Dan; Arie, Ady; Silberberg, Yaron
2008-12-01
We present a geometrical representation of the process of sum frequency generation in the undepleted pump approximation, in analogy with the known optical Bloch equations. We use this analogy to propose a technique for achieving both high efficiency and large bandwidth in sum frequency conversion using the adiabatic inversion scheme. The process is analogous with rapid adiabatic passage in NMR, and adiabatic constraints are derived in this context. This adiabatic frequency conversion scheme is realized experimentally using an aperiodically poled potassium titanyl phosphate (KTP) device, where we achieved high efficiency signal-to-idler conversion over a bandwidth of 140nm .
On the Role of Prior Probability in Adiabatic Quantum Algorithms
NASA Astrophysics Data System (ADS)
Sun, Jie; Lu, Songfeng; Yang, Liping
2016-03-01
In this paper, we study the role of prior probability on the efficiency of quantum local adiabatic search algorithm. The following aspects for prior probability are found here: firstly, only the probabilities of marked states affect the running time of the adiabatic evolution; secondly, the prior probability can be used for improving the efficiency of the adiabatic algorithm; thirdly, like the usual quantum adiabatic evolution, the running time for the case of multiple solution states where the number of marked elements are smaller enough than the size of the set assigned that contains them can be significantly bigger than that of the case where the assigned set only contains all the marked states.
Quantum Adiabatic Algorithms and Large Spin Tunnelling
NASA Technical Reports Server (NTRS)
Boulatov, A.; Smelyanskiy, V. N.
2003-01-01
We provide a theoretical study of the quantum adiabatic evolution algorithm with different evolution paths proposed in this paper. The algorithm is applied to a random binary optimization problem (a version of the 3-Satisfiability problem) where the n-bit cost function is symmetric with respect to the permutation of individual bits. The evolution paths are produced, using the generic control Hamiltonians H (r) that preserve the bit symmetry of the underlying optimization problem. In the case where the ground state of H(0) coincides with the totally-symmetric state of an n-qubit system the algorithm dynamics is completely described in terms of the motion of a spin-n/2. We show that different control Hamiltonians can be parameterized by a set of independent parameters that are expansion coefficients of H (r) in a certain universal set of operators. Only one of these operators can be responsible for avoiding the tunnelling in the spin-n/2 system during the quantum adiabatic algorithm. We show that it is possible to select a coefficient for this operator that guarantees a polynomial complexity of the algorithm for all problem instances. We show that a successful evolution path of the algorithm always corresponds to the trajectory of a classical spin-n/2 and provide a complete characterization of such paths.
Nonadiabatic Transitions in Adiabatic Rapid Passage
NASA Astrophysics Data System (ADS)
Lu, T.; Miao, X.; Metcalf, H.
2006-05-01
Optical forces much larger than the ordinary radiative force can be achieved on a two-level atom by multiple repetitions of adiabatic rapid passage sweeps with counterpropagating light beams. Chirped light pulses drive the atom-laser system up a ladder of dressed state energy sheets on sequential trajectories, thereby decreasing the atomic kinetic energy. Nonadiabatic transitions between the energy sheets must be avoided for this process to be effective. We have calculated the nonadiabatic transition probability for various chirped light pulses numerically. These results were compared to the first Demkov-Kunike model and the well-known Landau-Zener model. In addition, an analytical form of the nonadiabatic transition probability has been found for linearly chirped pulses and an approximate form for generic symmetric finite-time pulses has been found for the entire parameter space using the technique of unitary integration. From this, the asymptotic transition probability in the adiabatic limit was derived. T. Lu, X. Miao, and H. Metcalf, Phys., Rev. A 71 061405(R) (2005). Yu. Demkov and M. Kunike, Vestn. Leningr. Univ. Fis. Khim., 16, 39 (1969); K.-A. Suominen and B. Garraway, Phys. Rev. A45, 374 (1992)
Effect of the Heat Pipe Adiabatic Region.
Brahim, Taoufik; Jemni, Abdelmajid
2014-04-01
The main motivation of conducting this work is to present a rigorous analysis and investigation of the potential effect of the heat pipe adiabatic region on the flow and heat transfer performance of a heat pipe under varying evaporator and condenser conditions. A two-dimensional steady-state model for a cylindrical heat pipe coupling, for both regions, is presented, where the flow of the fluid in the porous structure is described by Darcy-Brinkman-Forchheimer model which accounts for the boundary and inertial effects. The model is solved numerically by using the finite volumes method, and a fortran code was developed to solve the system of equations obtained. The results show that a phase change can occur in the adiabatic region due to temperature gradient created in the porous structure as the heat input increases and the heat pipe boundary conditions change. A recirculation zone may be created at the condenser end section. The effect of the heat transfer rate on the vapor radial velocities and the performance of the heat pipe are discussed. PMID:24895467
Adiabatic cooling of solar wind electrons
NASA Technical Reports Server (NTRS)
Sandbaek, Ornulf; Leer, Egil
1992-01-01
In thermally driven winds emanating from regions in the solar corona with base electron densities of n0 not less than 10 exp 8/cu cm, a substantial fraction of the heat conductive flux from the base is transfered into flow energy by the pressure gradient force. The adiabatic cooling of the electrons causes the electron temperature profile to fall off more rapidly than in heat conduction dominated flows. Alfven waves of solar origin, accelerating the basically thermally driven solar wind, lead to an increased mass flux and enhanced adiabatic cooling. The reduction in electron temperature may be significant also in the subsonic region of the flow and lead to a moderate increase of solar wind mass flux with increasing Alfven wave amplitude. In the solar wind model presented here the Alfven wave energy flux per unit mass is larger than that in models where the temperature in the subsonic flow is not reduced by the wave, and consequently the asymptotic flow speed is higher.
Adiabatic Mass Loss Model in Binary Stars
NASA Astrophysics Data System (ADS)
Ge, H. W.
2012-07-01
Rapid mass transfer process in the interacting binary systems is very complicated. It relates to two basic problems in the binary star evolution, i.e., the dynamically unstable Roche-lobe overflow and the common envelope evolution. Both of the problems are very important and difficult to be modeled. In this PhD thesis, we focus on the rapid mass loss process of the donor in interacting binary systems. The application to the criterion of dynamically unstable mass transfer and the common envelope evolution are also included. Our results based on the adiabatic mass loss model could be used to improve the binary evolution theory, the binary population synthetic method, and other related aspects. We build up the adiabatic mass loss model. In this model, two approximations are included. The first one is that the energy generation and heat flow through the stellar interior can be neglected, hence the restructuring is adiabatic. The second one is that he stellar interior remains in hydrostatic equilibrium. We model this response by constructing model sequences, beginning with a donor star filling its Roche lobe at an arbitrary point in its evolution, holding its specific entropy and composition profiles fixed. These approximations are validated by the comparison with the time-dependent binary mass transfer calculations and the polytropic model for low mass zero-age main-sequence stars. In the dynamical time scale mass transfer, the adiabatic response of the donor star drives it to expand beyond its Roche lobe, leading to runaway mass transfer and the formation of a common envelope with its companion star. For donor stars with surface convection zones of any significant depth, this runaway condition is encountered early in mass transfer, if at all; but for main sequence stars with radiative envelopes, it may be encountered after a prolonged phase of thermal time scale mass transfer, so-called delayed dynamical instability. We identify the critical binary mass ratio for the
Many-body effects on adiabatic passage through Feshbach resonances
Tikhonenkov, I.; Pazy, E.; Band, Y. B.; Vardi, A.; Fleischhauer, M.
2006-04-15
We theoretically study the dynamics of an adiabatic sweep through a Feshbach resonance, thereby converting a degenerate quantum gas of fermionic atoms into a degenerate quantum gas of bosonic dimers. Our analysis relies on a zero temperature mean-field theory which accurately accounts for initial molecular quantum fluctuations, triggering the association process. The structure of the resulting semiclassical phase space is investigated, highlighting the dynamical instability of the system towards association, for sufficiently small detuning from resonance. It is shown that this instability significantly modifies the finite-rate efficiency of the sweep, transforming the single-pair exponential Landau-Zener behavior of the remnant fraction of atoms {gamma} on sweep rate {alpha}, into a power-law dependence as the number of atoms increases. The obtained nonadiabaticity is determined from the interplay of characteristic time scales for the motion of adiabatic eigenstates and for fast periodic motion around them. Critical slowing-down of these precessions near the instability leads to the power-law dependence. A linear power law {gamma}{proportional_to}{alpha} is obtained when the initial molecular fraction is smaller than the 1/N quantum fluctuations, and a cubic-root power law {gamma}{proportional_to}{alpha}{sup 1/3} is attained when it is larger. Our mean-field analysis is confirmed by exact calculations, using Fock-space expansions. Finally, we fit experimental low temperature Feshbach sweep data with a power-law dependence. While the agreement with the experimental data is well within experimental error bars, similar accuracy can be obtained with an exponential fit, making additional data highly desirable.
Adiabatic theory in regions of strong field gradients. [in magnetosphere
NASA Technical Reports Server (NTRS)
Whipple, E. C.; Northrop, T. G.; Birmingham, T. J.
1986-01-01
The theory for the generalized first invariant for adiabatic motion of charged particles in regions where there are large gradients in magnetic or electric fields is developed. The general condition for an invariant to exist in such regions is that the potential well in which the particle oscillates change its shape slowly as the particle drifts. It is shown how the Kruskal (1962) procedure can be applied to obtain expressions for the invariant and for drift velocities that are asymptotic in a smallness parameter epsilon. The procedure is illustrated by obtaining the invariant and drift velocities for particles traversing a perpendicular shock, and the generalized invariant is compared with the magnetic moment, and the drift orbits with the actual orbits, for a particular case. In contrast to the magnetic moment, the generalized first invariant is better for large gyroradii (large kinetic energies) than for small gyroradii. Expressions for the invariant when an electrostatic potential jump is imposed across the perpendicular shock, and when the particle traverses a rotational shear layer with a small normal component of the magnetic field are given.
Time-resolved photoluminescence spectroscopy of NbNb4 + and O- polarons in LiNbO3 single crystals
NASA Astrophysics Data System (ADS)
Kämpfe, T.; Haußmann, A.; Eng, L. M.; Reichenbach, P.; Thiessen, A.; Woike, T.; Steudtner, R.
2016-05-01
We probe here the optical relaxation properties of Mg-doped wide-band-gap LiNbO3 single crystals with both a high spectral and temporal resolution at cryogenic temperatures. Surprisingly, we observe the photoluminescence to decay in a two-step process: a fast relaxation and a slower one centered around an energy Emax = 2.62 ±0.05 eV. Both decays fit well to the stretched-exponential behavior. Moreover, we are able to associate these energies to the recombination of light-induced NbNb4 + and O- small polarons. Also, we checked the stability of our findings by using LiNbO3 single crystals that show on-purpose modified radiative recombination processes, i.e., with a Mg doping both above and below the optical damage resistance threshold, as well as with different poling histories of inverted domains.
NASA Astrophysics Data System (ADS)
Casteels, W.; Tempere, J.; Devreese, J. T.
2011-03-01
We expand the existing polaron response theory, expressed within the Mori-Zwanzig projection operator formalism applicable for the transfer of arbitrary energy and zero momentum, for the case of finite momentum exchange. A general formula is then derived that can be used to calculate the response of a system to a probe that transfers both momentum and energy to the system. The main extension of the existing polaron response theory is the finite momentum exchange, which was not needed until now, since it is negligible for optical absorption. However, this formalism is needed to calculate the response of the polaronic system consisting of an impurity in a Bose-Einstein condensate (BEC) to Bragg spectroscopy. We show that the well-known features that appear in the optical absorption of the solid-state Fröhlich polaron are also present in the Bragg response of the BEC-impurity polaron. The f-sum rule is written in a form suitable to provide an independent consistency test for our results. The effect of lifetime broadening on the BEC-impurity spectrum is examined. The results derived here are discussed in the framework of an experimental realization consisting of a lithium impurity in a sodium condensate.
Zarrabi, Nasim; Burn, Paul L; Meredith, Paul; Shaw, Paul E
2016-07-21
Transient absorption spectroscopy on organic semiconductor blends for solar cells typically shows efficient charge generation within ∼100 fs, accounting for the majority of the charge carriers. In this Letter, we show using transient absorption spectroscopy on blends containing a broad range of acceptor content (0.01-50% by weight) that the rise of the polaron signal is dependent on the acceptor concentration. For low acceptor content (<10% by weight), the polaron signal rises gradually over ∼1 ps with most polarons generated after 200 fs, while for higher acceptor concentrations (>10%) most polarons are generated within 200 fs. The rise time in blends with low acceptor content was also found to be sensitive to the pump fluence, decreasing with increasing excitation density. These results indicate that the sub-100 fs rise of the polaron signal is a natural consequence of both the high acceptor concentrations in many donor-acceptor blends and the high excitation densities needed for transient absorption spectroscopy, which results in a short average distance between the exciton and the donor-acceptor interface. PMID:27355877
Adiabat-shaping in indirect drive inertial confinement fusion
NASA Astrophysics Data System (ADS)
Baker, K. L.; Robey, H. F.; Milovich, J. L.; Jones, O. S.; Smalyuk, V. A.; Casey, D. T.; MacPhee, A. G.; Pak, A.; Celliers, P. M.; Clark, D. S.; Landen, O. L.; Peterson, J. L.; Berzak-Hopkins, L. F.; Weber, C. R.; Haan, S. W.; Döppner, T. D.; Dixit, S.; Giraldez, E.; Hamza, A. V.; Jancaitis, K. S.; Kroll, J. J.; Lafortune, K. N.; MacGowan, B. J.; Moody, J. D.; Nikroo, A.; Widmayer, C. C.
2015-05-01
Adiabat-shaping techniques were investigated in indirect drive inertial confinement fusion experiments on the National Ignition Facility as a means to improve implosion stability, while still maintaining a low adiabat in the fuel. Adiabat-shaping was accomplished in these indirect drive experiments by altering the ratio of the picket and trough energies in the laser pulse shape, thus driving a decaying first shock in the ablator. This decaying first shock is designed to place the ablation front on a high adiabat while keeping the fuel on a low adiabat. These experiments were conducted using the keyhole experimental platform for both three and four shock laser pulses. This platform enabled direct measurement of the shock velocities driven in the glow-discharge polymer capsule and in the liquid deuterium, the surrogate fuel for a DT ignition target. The measured shock velocities and radiation drive histories are compared to previous three and four shock laser pulses. This comparison indicates that in the case of adiabat shaping the ablation front initially drives a high shock velocity, and therefore, a high shock pressure and adiabat. The shock then decays as it travels through the ablator to pressures similar to the original low-adiabat pulses when it reaches the fuel. This approach takes advantage of initial high ablation velocity, which favors stability, and high-compression, which favors high stagnation pressures.
Quantum adiabatic algorithm for factorization and its experimental implementation.
Peng, Xinhua; Liao, Zeyang; Xu, Nanyang; Qin, Gan; Zhou, Xianyi; Suter, Dieter; Du, Jiangfeng
2008-11-28
We propose an adiabatic quantum algorithm capable of factorizing numbers, using fewer qubits than Shor's algorithm. We implement the algorithm in a NMR quantum information processor and experimentally factorize the number 21. In the range that our classical computer could simulate, the quantum adiabatic algorithm works well, providing evidence that the running time of this algorithm scales polynomially with the problem size. PMID:19113467
Adiabat-shaping in indirect drive inertial confinement fusion
Baker, K. L.; Robey, H. F.; Milovich, J. L.; Jones, O. S.; Smalyuk, V. A.; Casey, D. T.; MacPhee, A. G.; Pak, A.; Celliers, P. M.; Clark, D. S.; Landen, O. L.; Peterson, J. L.; Berzak-Hopkins, L. F.; Weber, C. R.; Haan, S. W.; Döppner, T. D.; Dixit, S.; Hamza, A. V.; Jancaitis, K. S.; Kroll, J. J.; and others
2015-05-15
Adiabat-shaping techniques were investigated in indirect drive inertial confinement fusion experiments on the National Ignition Facility as a means to improve implosion stability, while still maintaining a low adiabat in the fuel. Adiabat-shaping was accomplished in these indirect drive experiments by altering the ratio of the picket and trough energies in the laser pulse shape, thus driving a decaying first shock in the ablator. This decaying first shock is designed to place the ablation front on a high adiabat while keeping the fuel on a low adiabat. These experiments were conducted using the keyhole experimental platform for both three and four shock laser pulses. This platform enabled direct measurement of the shock velocities driven in the glow-discharge polymer capsule and in the liquid deuterium, the surrogate fuel for a DT ignition target. The measured shock velocities and radiation drive histories are compared to previous three and four shock laser pulses. This comparison indicates that in the case of adiabat shaping the ablation front initially drives a high shock velocity, and therefore, a high shock pressure and adiabat. The shock then decays as it travels through the ablator to pressures similar to the original low-adiabat pulses when it reaches the fuel. This approach takes advantage of initial high ablation velocity, which favors stability, and high-compression, which favors high stagnation pressures.
Kinetic Theory Derivation of the Adiabatic Law for Ideal Gases.
ERIC Educational Resources Information Center
Sobel, Michael I.
1980-01-01
Discusses how the adiabatic law for ideal gases can be derived from the assumption of a Maxwell-Boltzmann (or any other) distribution of velocities--in contrast to the usual derivations from thermodynamics alone, and the higher-order effect that leads to one-body viscosity. An elementary derivation of the adiabatic law is given. (Author/DS)
The Adiabatic Invariance of the Action Variable in Classical Dynamics
ERIC Educational Resources Information Center
Wells, Clive G.; Siklos, Stephen T. C.
2007-01-01
We consider one-dimensional classical time-dependent Hamiltonian systems with quasi-periodic orbits. It is well known that such systems possess an adiabatic invariant which coincides with the action variable of the Hamiltonian formalism. We present a new proof of the adiabatic invariance of this quantity and illustrate our arguments by means of…
Adiabatic theory for anisotropic cold molecule collisions
Pawlak, Mariusz; Shagam, Yuval; Narevicius, Edvardas; Moiseyev, Nimrod
2015-08-21
We developed an adiabatic theory for cold anisotropic collisions between slow atoms and cold molecules. It enables us to investigate the importance of the couplings between the projection states of the rotational motion of the atom about the molecular axis of the diatom. We tested our theory using the recent results from the Penning ionization reaction experiment {sup 4}He(1s2s {sup 3}S) + HD(1s{sup 2}) → {sup 4}He(1s{sup 2}) + HD{sup +}(1s) + e{sup −} [Lavert-Ofir et al., Nat. Chem. 6, 332 (2014)] and demonstrated that the couplings have strong effect on positions of shape resonances. The theory we derived provides cross sections which are in a very good agreement with the experimental findings.
Quantum Adiabatic Optimization and Combinatorial Landscapes
NASA Technical Reports Server (NTRS)
Smelyanskiy, V. N.; Knysh, S.; Morris, R. D.
2003-01-01
In this paper we analyze the performance of the Quantum Adiabatic Evolution (QAE) algorithm on a variant of Satisfiability problem for an ensemble of random graphs parametrized by the ratio of clauses to variables, gamma = M / N. We introduce a set of macroscopic parameters (landscapes) and put forward an ansatz of universality for random bit flips. We then formulate the problem of finding the smallest eigenvalue and the excitation gap as a statistical mechanics problem. We use the so-called annealing approximation with a refinement that a finite set of macroscopic variables (verses only energy) is used, and are able to show the existence of a dynamic threshold gamma = gammad, beyond which QAE should take an exponentially long time to find a solution. We compare the results for extended and simplified sets of landscapes and provide numerical evidence in support of our universality ansatz.
An adiabatic demagnetization refrigerator for SIRTF
NASA Technical Reports Server (NTRS)
Timbie, P. T.; Bernstein, G. M.; Richards, P. L.
1989-01-01
An adiabatic demagnetization refrigerator (ADR) has been proposed to cool bolometric infrared detectors on the multiband imaging photometer of the Space Infrared Telescope Facility (SIRTF). One such refrigerator has been built which uses a ferric ammonium alum salt pill suspended by nylon threads in a 3-T solenoid. The resonant modes of this suspension are above 100 Hz. The heat leak to the salt pill is less than 0.5 microW. The system has a hold time at 0.1K of more than 12 h. The cold stage temperature is regulated with a feedback loop that controls the magnetic field. A second, similar refrigerator is being built at a SIRTF prototype to fly on a ballon-borne telescope. It will use a ferromagnetic shield. The possibility of using a high-Tc solenoid-actuated heat switch is also discussed.
Design of a spaceworthy adiabatic demagnetization refrigerator
NASA Technical Reports Server (NTRS)
Serlemitsos, A. T.; Kunes, E.; Sansebastian, M.
1992-01-01
A spaceworthy adiabatic demagnetization refrigerator (ADR) under development at NASA-Goddard is presented. A baseline model heat switch was tested extensively with an on/off ratio of about 10,000 and a parasitic heat leak of 10 micro-W. Data obtained from the breadboard models were used to design an ADR with improved structural integrity. The core of the ADR is the salt pill which consists of the paramagnetic salt crystal and the thermal bus. When a magnetic field is applied to the salt it forces the alignment of the magnetic moments, thereby decreasing the entropy of the salt. Preliminary tests results showed a net crystal mass of 680 g instead of the expected 740 g, which indicate that there are gaps in the salt pill. A partial fix was accomplished by sealing helium gas in the salt pill at a pressure of 2 bar, which improved the thermal contact during salt magnetization, at about 2 K.
Differential topology of adiabatically controlled quantum processes
NASA Astrophysics Data System (ADS)
Jonckheere, Edmond A.; Rezakhani, Ali T.; Ahmad, Farooq
2013-03-01
It is shown that in a controlled adiabatic homotopy between two Hamiltonians, H 0 and H 1, the gap or "anti-crossing" phenomenon can be viewed as the development of cusps and swallow tails in the region of the complex plane where two critical value curves of the quadratic map associated with the numerical range of H 0 + i H 1 come close. The "near crossing" in the energy level plots happens to be a generic situation, in the sense that a crossing is a manifestation of the quadratic numerical range map being unstable in the sense of differential topology. The stable singularities that can develop are identified and it is shown that they could occur near the gap, making those singularities of paramount importance. Various applications, including the quantum random walk, are provided to illustrate this theory.
Reversible logic gate using adiabatic superconducting devices
Takeuchi, N.; Yamanashi, Y.; Yoshikawa, N.
2014-01-01
Reversible computing has been studied since Rolf Landauer advanced the argument that has come to be known as Landauer's principle. This principle states that there is no minimum energy dissipation for logic operations in reversible computing, because it is not accompanied by reductions in information entropy. However, until now, no practical reversible logic gates have been demonstrated. One of the problems is that reversible logic gates must be built by using extremely energy-efficient logic devices. Another difficulty is that reversible logic gates must be both logically and physically reversible. Here we propose the first practical reversible logic gate using adiabatic superconducting devices and experimentally demonstrate the logical and physical reversibility of the gate. Additionally, we estimate the energy dissipation of the gate, and discuss the minimum energy dissipation required for reversible logic operations. It is expected that the results of this study will enable reversible computing to move from the theoretical stage into practical usage. PMID:25220698
Entropy in Adiabatic Regions of Convection Simulations
NASA Astrophysics Data System (ADS)
Tanner, Joel D.; Basu, Sarbani; Demarque, Pierre
2016-05-01
One of the largest sources of uncertainty in stellar models is caused by the treatment of convection in stellar envelopes. One-dimensional stellar models often make use of the mixing length or equivalent approximations to describe convection, all of which depend on various free parameters. There have been attempts to rectify this by using 3D radiative-hydrodynamic simulations of stellar convection, and in trying to extract an equivalent mixing length from the simulations. In this Letter, we show that the entropy of the deeper, adiabatic layers in these simulations can be expressed as a simple function of {log}g and {log}{T}{{eff}}, which holds potential for calibrating stellar models in a simple and more general manner.
Symmetry-protected adiabatic quantum transistors
NASA Astrophysics Data System (ADS)
Williamson, Dominic J.; Bartlett, Stephen D.
2015-05-01
Adiabatic quantum transistors (AQT) allow quantum logic gates to be performed by applying a large field to a quantum many-body system prepared in its ground state, without the need for local control. The basic operation of such a device can be viewed as driving a spin chain from a symmetry-protected (SP) phase to a trivial phase. This perspective offers an avenue to generalize the AQT and to design several improvements. The performance of quantum logic gates is shown to depend only on universal symmetry properties of a SP phase rather than any fine tuning of the Hamiltonian, and it is possible to implement a universal set of logic gates in this way by combining several different types of SP matter. Such SP AQTs are argued to be robust to a range of relevant noise processes.
Geometric Adiabatic Transport in Quantum Hall States
NASA Astrophysics Data System (ADS)
Klevtsov, S.; Wiegmann, P.
2015-08-01
We argue that in addition to the Hall conductance and the nondissipative component of the viscous tensor, there exists a third independent transport coefficient, which is precisely quantized. It takes constant values along quantum Hall plateaus. We show that the new coefficient is the Chern number of a vector bundle over moduli space of surfaces of genus 2 or higher and therefore cannot change continuously along the plateau. As such, it does not transpire on a sphere or a torus. In the linear response theory, this coefficient determines intensive forces exerted on electronic fluid by adiabatic deformations of geometry and represents the effect of the gravitational anomaly. We also present the method of computing the transport coefficients for quantum Hall states.
Geometric Adiabatic Transport in Quantum Hall States.
Klevtsov, S; Wiegmann, P
2015-08-21
We argue that in addition to the Hall conductance and the nondissipative component of the viscous tensor, there exists a third independent transport coefficient, which is precisely quantized. It takes constant values along quantum Hall plateaus. We show that the new coefficient is the Chern number of a vector bundle over moduli space of surfaces of genus 2 or higher and therefore cannot change continuously along the plateau. As such, it does not transpire on a sphere or a torus. In the linear response theory, this coefficient determines intensive forces exerted on electronic fluid by adiabatic deformations of geometry and represents the effect of the gravitational anomaly. We also present the method of computing the transport coefficients for quantum Hall states. PMID:26340197
Adiabatic connection at negative coupling strengths
Seidl, Michael; Gori-Giorgi, Paola
2010-01-15
The adiabatic connection of density functional theory (DFT) for electronic systems is generalized here to negative values of the coupling strength alpha (with attractive electrons). In the extreme limit alpha->-infinity a simple physical solution is presented and its implications for DFT (as well as its limitations) are discussed. For two-electron systems (a case in which the present solution can be calculated exactly), we find that an interpolation between the limit alpha->-infinity and the opposite limit of infinitely strong repulsion (alpha->+infinity) yields a rather accurate estimate of the second-order correlation energy E{sub c}{sup GL2}[rho] for several different densities rho, without using virtual orbitals. The same procedure is also applied to the Be isoelectronic series, analyzing the effects of near degeneracy.
Adiabatic theory for anisotropic cold molecule collisions.
Pawlak, Mariusz; Shagam, Yuval; Narevicius, Edvardas; Moiseyev, Nimrod
2015-08-21
We developed an adiabatic theory for cold anisotropic collisions between slow atoms and cold molecules. It enables us to investigate the importance of the couplings between the projection states of the rotational motion of the atom about the molecular axis of the diatom. We tested our theory using the recent results from the Penning ionization reaction experiment (4)He(1s2s (3)S) + HD(1s(2)) → (4)He(1s(2)) + HD(+)(1s) + e(-) [Lavert-Ofir et al., Nat. Chem. 6, 332 (2014)] and demonstrated that the couplings have strong effect on positions of shape resonances. The theory we derived provides cross sections which are in a very good agreement with the experimental findings. PMID:26298122
Sliding seal materials for adiabatic engines
NASA Technical Reports Server (NTRS)
Lankford, J.
1985-01-01
The sliding friction coefficients and wear rates of promising carbide, oxide, and nitride materials were measured under temperature, environmental, velocity, loading conditions that are representative of the adiabatic engine environment. In order to provide guidance needed to improve materials for this application, the program stressed fundamental understanding of the mechanisms involved in friction and wear. Microhardness tests were performed on the candidate materials at elevated temperatures, and in atmospheres relevant to the piston seal application, and optical and electron microscopy were used to elucidate the micromechanisms of wear following wear testing. X-ray spectroscopy was used to evaluate interface/environment interactions which seemed to be important in the friction and wear process. Electrical effects in the friction and wear processes were explored in order to evaluate the potential usefulness of such effects in modifying the friction and wear rates in service. However, this factor was found to be of negligible significance in controlling friction and wear.
Adiabatically-tapered fiber mode multiplexers.
Yerolatsitis, S; Gris-Sánchez, I; Birks, T A
2014-01-13
Simple all-fiber three-mode multiplexers were made by adiabatically merging three dissimilar single-mode cores into one multimode core. This was achieved by collapsing air holes in a photonic crystal fiber and (in a separate device) by fusing and tapering separate telecom fibers in a fluorine-doped silica capillary. In each case the LP01 mode and both LP11 modes were individually excited from three separate input cores, with losses below 0.3 and 0.7 dB respectively and mode purities exceeding 10 dB. Scaling to more modes is challenging, but would be assisted by using single-mode fibers with a smaller ratio of cladding to core diameter. PMID:24515021
The HAWC and SAFIRE Adiabatic Demagnetization Refrigerators
NASA Technical Reports Server (NTRS)
Tuttle, Jim; Shirron, Peter; DiPirro, Michael; Jackson, Michael; Behr, Jason; Kunes, Evan; Hait, Tom; Krebs, Carolyn (Technical Monitor)
2001-01-01
The High-Resolution Airborne Wide-band Camera (HAWC) and Submillimeter and Far Infrared Experiment (SAFIRE) are far-infrared experiments which will fly on the Stratospheric Observatory for Infrared Astronomy (SOFIA) aircraft. HAWC's detectors will operate at 0.2 Kelvin, while those of SAFIRE will be at 0.1 Kelvin. Each instrument will include an adiabatic demagnetization refrigerator (ADR) to cool its detector stage from the liquid helium bath temperature (HAWC's at 4.2 Kelvin and SAFIRE's pumped to about 1.3 Kelvin) to its operating temperature. Except for the magnets used to achieve the cooling and a slight difference in the heat switch design, the two ADRs are nearly identical. We describe the ADR design and present the results of performance testing.
NASA Astrophysics Data System (ADS)
Bridges, F.; Downward, L.; Neumeier, J. J.; Tyson, T. A.
2010-05-01
We present detailed local structure measurements (using the extended x-ray absorption fine structure technique) for the colossal magnetoresistive material La1-xCaxMnO3 (0.21
An integrated programming and development environment for adiabatic quantum optimization
NASA Astrophysics Data System (ADS)
Humble, T. S.; McCaskey, A. J.; Bennink, R. S.; Billings, J. J.; DʼAzevedo, E. F.; Sullivan, B. D.; Klymko, C. F.; Seddiqi, H.
2014-01-01
Adiabatic quantum computing is a promising route to the computational power afforded by quantum information processing. The recent availability of adiabatic hardware has raised challenging questions about how to evaluate adiabatic quantum optimization (AQO) programs. Processor behavior depends on multiple steps to synthesize an adiabatic quantum program, which are each highly tunable. We present an integrated programming and development environment for AQO called Jade Adiabatic Development Environment (JADE) that provides control over all the steps taken during program synthesis. JADE captures the workflow needed to rigorously specify the AQO algorithm while allowing a variety of problem types, programming techniques, and processor configurations. We have also integrated JADE with a quantum simulation engine that enables program profiling using numerical calculation. The computational engine supports plug-ins for simulation methodologies tailored to various metrics and computing resources. We present the design, integration, and deployment of JADE and discuss its potential use for benchmarking AQO programs by the quantum computer science community.
An Integrated Development Environment for Adiabatic Quantum Programming
Humble, Travis S; McCaskey, Alex; Bennink, Ryan S; Billings, Jay Jay; D'Azevedo, Eduardo; Sullivan, Blair D; Klymko, Christine F; Seddiqi, Hadayat
2014-01-01
Adiabatic quantum computing is a promising route to the computational power afforded by quantum information processing. The recent availability of adiabatic hardware raises the question of how well quantum programs perform. Benchmarking behavior is challenging since the multiple steps to synthesize an adiabatic quantum program are highly tunable. We present an adiabatic quantum programming environment called JADE that provides control over all the steps taken during program development. JADE captures the workflow needed to rigorously benchmark performance while also allowing a variety of problem types, programming techniques, and processor configurations. We have also integrated JADE with a quantum simulation engine that enables program profiling using numerical calculation. The computational engine supports plug-ins for simulation methodologies tailored to various metrics and computing resources. We present the design, integration, and deployment of JADE and discuss its use for benchmarking adiabatic quantum programs.
Non-adiabatic molecular dynamics with complex quantum trajectories. II. The adiabatic representation
NASA Astrophysics Data System (ADS)
Zamstein, Noa; Tannor, David J.
2012-12-01
We present a complex quantum trajectory method for treating non-adiabatic dynamics. Each trajectory evolves classically on a single electronic surface but with complex position and momentum. The equations of motion are derived directly from the time-dependent Schrödinger equation, and the population exchange arises naturally from amplitude-transfer terms. In this paper the equations of motion are derived in the adiabatic representation to complement our work in the diabatic representation [N. Zamstein and D. J. Tannor, J. Chem. Phys. 137, 22A517 (2012)], 10.1063/1.4739845. We apply our method to two benchmark models introduced by John Tully [J. Chem. Phys. 93, 1061 (1990)], 10.1063/1.459170, and get very good agreement with converged quantum-mechanical calculations. Specifically, we show that decoherence (spatial separation of wavepackets on different surfaces) is already contained in the equations of motion and does not require ad hoc augmentation.
Non-adiabatic molecular dynamics with complex quantum trajectories. II. The adiabatic representation
Zamstein, Noa; Tannor, David J.
2012-12-14
We present a complex quantum trajectory method for treating non-adiabatic dynamics. Each trajectory evolves classically on a single electronic surface but with complex position and momentum. The equations of motion are derived directly from the time-dependent Schroedinger equation, and the population exchange arises naturally from amplitude-transfer terms. In this paper the equations of motion are derived in the adiabatic representation to complement our work in the diabatic representation [N. Zamstein and D. J. Tannor, J. Chem. Phys. 137, 22A517 (2012)]. We apply our method to two benchmark models introduced by John Tully [J. Chem. Phys. 93, 1061 (1990)], and get very good agreement with converged quantum-mechanical calculations. Specifically, we show that decoherence (spatial separation of wavepackets on different surfaces) is already contained in the equations of motion and does not require ad hoc augmentation.
Quasi-adiabatic dynamics of ions in a bifurcated current sheet
Kartsev, Yu. I.; Artemyev, A. V.; Malova, H. V. Zelenyi, L. M.
2013-04-15
The study is devoted to ion dynamics in bifurcated current sheets with a two-peak current-density distribution observed in the Earth's magnetotail and solar wind. The ion motion is described by a Hamiltonian system with two degrees of freedom. The presence of a small parameter {kappa} characterizing the ratio between the amplitudes of the normal and tangential magnetic field components allows one to separate variables into fast and slow ones and introduce the quasi-adiabatic invariant of motion I{sub z}. Conservation of this invariant makes it possible to analytically describe the dynamics of charged particles. Deviations of the particle dynamics from the quasi-adiabatic one, which are caused by the nonconservation of the quasi-adiabatic invariant, are investigated. The jump of the invariant {Delta}I{sub z} is shown to depend on the small parameter according to the power-law {Delta}I{sub z} {approx} {kappa}{sup h}, where the exponent h varies between unity and 3/4, depending on the level of current sheet bifurcation. The obtained dependence of {Delta}I{sub z} on {kappa} coincides with analytic expressions in the limiting cases of nonbifurcated and completely bifurcated current sheets.
Kikuchi, Chie; Inoue, Mitsuhiro; Okawa, Kohei; Taguchi, Jyunichi; Hirota, Yoshifumi; Yanagiya, Yohei
2016-04-01
It is considered that the enhancement of chemical shift and the elevation of signal-to-noise ratio (SNR) induced by high magnetic fields are useful for the evaluation of metabolism using magnetic resonance spectroscopy (MRS). However, the reduction of the localization in MRS seems to be caused by the decreased homogeneity of radio frequency (RF) pulses, especially in chemical shift imaging (CSI). To search the influence of B1 shim mode and the significance of adiabatic pulses, we have examined the changes of RF homogeneity using 3 T magnetic resonance imaging (MRI) with the water phantom and the metabolites phantom (containing acetate and lactate) in CSI. The RF homogeneity and chemical shift artifact were obviously improved using the adiabatic pulses. Improvement of the homogeneity of RF pulses was observed when B1 shim was used. These results suggest the usefulness of CSI using adiabatic pulses and B1 shim when small amount of metabolites of target is measured in MRS. PMID:27097994
Hybrid em wave - polar semiconductor interaction: A polaronic study
Paliwal, Ayushi Dubey, Swati; Ghosh, S.
2015-07-31
Present paper considers incidence of a most realistic hybrid pump wave on a weakly polar semiconductor having a very small coupling constant. Possibility of optical parametric interaction has been explored in the presence of an external transverse magnetic field. The effect of doping concentrations and transverse magnetostatic field on threshold characteristics of optical parametric interaction in polar semiconductor plasma has been studied, using hydrodynamic model of semiconductors, in the far infrared regime. Numerical estimations have been carried out by using data of weakly polar III-V GaAs semiconductor and influence of control parameters on electron-LO phonon interaction has been analyzed. A particular range of physical parameters is found to be suitable for minimum threshold. The choice of nonlinear medium and favorable range of operating parameters are crucial aspects in design and fabrication of parametric amplifiers and oscillators. The hybrid mode of the pump is found to be favorable for the onset of the said process and realization of a low cost amplifier.
Real Space Imaging of Spin Polarons in Zn-Doped SrCu2(BO3)2
NASA Astrophysics Data System (ADS)
Yoshida, M.; Kobayashi, H.; Yamauchi, I.; Takigawa, M.; Capponi, S.; Poilblanc, D.; Mila, F.; Kudo, K.; Koike, Y.; Kobayashi, N.
2015-02-01
We report on the real space profile of spin polarons in the quasi-two-dimensional frustrated dimer spin system SrCu2(BO3)2 doped with 0.16% of Zn. The 11B nuclear magnetic resonance spectrum exhibits 15 additional boron sites near nonmagnetic Zn impurities. With the help of exact diagonalizations of finite clusters, we have deduced from the boron spectrum, the distribution of local magnetizations at the Cu sites with fine spatial resolution, providing direct evidence for an extended spin polaron. The results are confronted with those of other experiments performed on doped and undoped samples of SrCu2(BO3)2.
Dynamics of Charged Particles in an Adiabatic Thermal Beam Equilibrium
NASA Astrophysics Data System (ADS)
Chen, Chiping; Wei, Haofei
2010-11-01
Charged-particle motion is studied in the self-electric and self-magnetic fields of a well-matched, intense charged-particle beam and an applied periodic solenoidal magnetic focusing field. The beam is assumed to be in a state of adiabatic thermal equilibrium. The phase space is analyzed and compared with that of the well-known Kapchinskij-Vladimirskij (KV)-type beam equilibrium. It is found that the widths of nonlinear resonances in the adiabatic thermal beam equilibrium are narrower than those in the KV-type beam equilibrium. Numerical evidence is presented, indicating almost complete elimination of chaotic particle motion in the adiabatic thermal beam equilibrium.
Complete population inversion of Bose particles by an adiabatic cycle
NASA Astrophysics Data System (ADS)
Tanaka, Atushi; Cheon, Taksu
2016-04-01
We show that an adiabatic cycle excites Bose particles confined in a one-dimensional box. During the adiabatic cycle, a wall described by a δ-shaped potential is applied and its strength and position are slowly varied. When the system is initially prepared in the ground state, namely, in the zero-temperature equilibrium state, the adiabatic cycle brings all Bosons into the first excited one-particle state, leaving the system in a nonequilibrium state. The absorbed energy during the cycle is proportional to the number of Bosons.
Dephasing effects on stimulated Raman adiabatic passage in tripod configurations
Lazarou, C.; Vitanov, N. V.
2010-09-15
We present an analytic description of the effects of dephasing processes on stimulated Raman adiabatic passage in a tripod quantum system. To this end, we develop an effective two-level model. Our analysis makes use of the adiabatic approximation in the weak dephasing regime. An effective master equation for a two-level system formed by two dark states is derived, where analytic solutions are obtained by utilizing the Demkov-Kunike model. From these, it is found that the fidelity for the final coherent superposition state decreases exponentially for increasing dephasing rates. Depending on the pulse ordering and for adiabatic evolution, the pulse delay can have an inverse effect.
Polaron effects on the dc- and ac-tunneling characteristics of molecular Josephson junctions
NASA Astrophysics Data System (ADS)
Wu, B. H.; Cao, J. C.; Timm, C.
2012-07-01
We study the interplay of polaronic effect and superconductivity in transport through molecular Josephson junctions. The tunneling rates of electrons are dominated by vibronic replicas of the superconducting gap, which show up as prominent features in the differential conductance for the dc and ac current. For relatively large molecule-lead coupling, a features that appears when the Josephson frequency matches the vibron frequency can be identified with an over-the-gap structure observed by Marchenkov [Nat. Nanotech. 1748-338710.1038/nnano.2007.2182, 481 (2007)]. However, we are more concerned with the weak-coupling limit, where resonant tunneling through the molecular level dominates. We find that certain features involving both Andreev reflection and vibron emission show an unusual shift of the bias voltage V at their maximum with the gate voltage Vg as V˜(2/3)Vg. Moreover, due to the polaronic effect, the ac Josephson current shows a phase shift of π when the bias eV is increased by one vibronic energy quantum ℏωv. This distinctive even-odd effect is explained in terms of the different sign of the coupling to vibrons of electrons and of Andreev-reflected holes.
Photochromism and polaronic photocharge localization in diluted KTa1-xNbxO3
NASA Astrophysics Data System (ADS)
Gubaev, A. I.; Kapphan, S. E.; Jastrabik, L.; Trepakov, V. A.; Syrnikov, P. P.
2006-07-01
Ultraviolet (UV)-light-induced optical absorption in the near infrared (NIR) region was observed in diluted KTa1-xNbxO3 single crystals (x =0,0.004,0.007,0.012,0.07) at low temperatures. Illumination by wideband light (3.10-4.13eV, 300-400nm) is accompanied by the appearance of a broad NIR absorption band with the position of the maxima varying in the 0.69-0.8eV (1.54-1.79μ, T =1.3K) region for different Nb concentrations. This UV-light-induced absorption is absent in nominally pure KTaO3, as well as in all Nb diluted specimens at elevated temperatures. The centers responsible for the photochromic NIR absorption bands are tied to interband optical transitions of pair Nb4+ electronic polarons. The photochromic experimental data, supplemented by luminescence studies in the visible range, evidence the strong localization of the photocharge carriers by pair Nb4+ polarons at low temperatures. It is suggested that namely the strong localization of the photocarriers plays a crucial role in photoinduced gigantic dielectric effects and possible phase transitions, which have been recognized recently in incipient ferroelectrics at low temperatures.
Ideal diode equation for organic heterojunctions. II. The role of polaron pair recombination
Giebink, Noel C; Lassiter, Brian E; Wiederrecht, Gary P; Wasielewski, Michael R; Forrest, Stephen R.
2010-10-04
In paper I [N. C. Giebink, G. P. Wiederrecht, M. R. Wasielewski, and S. R. Forrest, Phys. Rev. B 82, 155305 (2010)], we proposed that current transport in a donor-acceptor heterojunction (HJ) depends on the balance of polaron pair (PP) dissociation and recombination. Here, we directly investigate these processes in archetype planar copper phthalocyanine (CuPc)/C{sub 60} and boron subpthalocyanine chloride (SubPc)/C{sub 60} HJs. Using intensity-modulated photocurrent spectroscopy (IMPS) along with emission from interfacial Pc/C{sub 60} exciplex states, we monitor the geminate PP density at the HJ as a function of bias and illumination intensity. We find that the SubPc/C{sub 60} PP density is limited by the dynamics of dissociation, where it increases from short circuit, and peaks at open circuit. In contrast, that of CuPc/C{sub 60} is dominated by faster recombination kinetics and declines monotonically over the same voltage domain. We conclude that the PP recombination rate depends on electric field, and propose a simple expression that qualitatively explains the observed exciplex luminescence and IMPS behavior for these HJs. Our results provide insight into polaron pair recombination, which governs the current-voltage characteristics of organic heterojunctions in the dark and under illumination.
Ideal Diode Equation for Organic Heterojunctions. II. The Role of Polaron Pair Recombination
Giebink, Noel C; Wiederrecht, Gary P; Wasielewski, Michael R; Forrest, Stephen R.
2010-10-04
In paper I [N. C. Giebink, G. P. Wiederrecht, M. R. Wasielewski, and S. R. Forrest, Phys. Rev. B 82, 155305 (2010)], we proposed that current transport in a donor-acceptor heterojunction (HJ) depends on the balance of polaron pair (PP) dissociation and recombination. Here, we directly investigate these processes in archetype planar copper phthalocyanine (CuPc)/C{sub 60} and boron subpthalocyanine chloride (SubPc)/C{sub 60} HJs. Using intensity-modulated photocurrent spectroscopy (IMPS) along with emission from interfacial Pc/C{sub 60} exciplex states, we monitor the geminate PP density at the HJ as a function of bias and illumination intensity. We find that the SubPc/C{sub 60} PP density is limited by the dynamics of dissociation, where it increases from short circuit, and peaks at open circuit. In contrast, that of CuPc/C{sub 60} is dominated by faster recombination kinetics and declines monotonically over the same voltage domain. We conclude that the PP recombination rate depends on electric field, and propose a simple expression that qualitatively explains the observed exciplex luminescence and IMPS behavior for these HJs. Our results provide insight into polaron pair recombination, which governs the current-voltage characteristics of organic heterojunctions in the dark and under illumination.
Madelung and Hubbard interactions in polaron band model of doped organic semiconductors.
Png, Rui-Qi; Ang, Mervin C Y; Teo, Meng-How; Choo, Kim-Kian; Tang, Cindy Guanyu; Belaineh, Dagmawi; Chua, Lay-Lay; Ho, Peter K H
2016-01-01
The standard polaron band model of doped organic semiconductors predicts that density-of-states shift into the π-π* gap to give a partially filled polaron band that pins the Fermi level. This picture neglects both Madelung and Hubbard interactions. Here we show using ultrahigh workfunction hole-doped model triarylamine-fluorene copolymers that Hubbard interaction strongly splits the singly-occupied molecular orbital from its empty counterpart, while Madelung (Coulomb) interactions with counter-anions and other carriers markedly shift energies of the frontier orbitals. These interactions lower the singly-occupied molecular orbital band below the valence band edge and give rise to an empty low-lying counterpart band. The Fermi level, and hence workfunction, is determined by conjunction of the bottom edge of this empty band and the top edge of the valence band. Calculations are consistent with the observed Fermi-level downshift with counter-anion size and the observed dependence of workfunction on doping level in the strongly doped regime. PMID:27582355
Surface of active polarons: A semiexplicit solvation method for biomolecular dynamics
NASA Astrophysics Data System (ADS)
Kimura, S. Roy; Brower, Richard C.; Zhang, Chao; Sugimori, Masamichi
2000-05-01
We present a strategy for solvating biomolecules in molecular dynamics or Monte Carlo simulations. The method employs a thin layer (often monomolecular) of explicit water with additional external forces representing the electrostatics, pressure, fluctuations, and dissipations caused by the neglected bulk. Long-range electrostatic corrections are supplied through a set of variable surface charges (polarons) that recreates the mean reaction field (or dielectric properties) of an infinite solvent. We refer to this "fictitious" boundary layer as a "surface of active polarons" (or SOAP). Test simulations of the solvation free energies of 15 amino acid analogs and nine ions are in good agreement with experiment (correlation coefficients: 0.995 and 1.000, respectively) despite the use of unaltered published force-fields with only one adjustable parameter. Dynamical capabilities of SOAP are illustrated by application to a six residue peptide with a stable conformation (SYPFDV), as well as a flexible nine residue HIV-1 gp120 peptide (TLTSCNTSV from PDB 1hhg). Future extensions, calibrations, and applications are discussed briefly.
NASA Astrophysics Data System (ADS)
Aziz, Hany; Wang, Qi
2015-10-01
The limited performance stability and gradual loss in the electroluminescence efficiency of OLEDs utilizing wide band-gap materials, such as blue-emitting phosphorescent and fluorescent devices, continues to be a challenge for wider technology adoption. We recently found that interactions between excitons and polarons play an important role in the aging behavior of electroluminescent materials, and that a correlation exists between the susceptibility of these materials to this aging mode and their band-gap. This degradation mode is also found to be often associated with the emergence of new bands - at longer wavelength - in the electroluminescence spectra of the materials, that can often be detected after prolonged electrical driving. Such bands contribute to the increased spectral broadening and color purity loss often observed in these devices over time. Exciton-polaron interactions, and the associated degradation, are also found to occur most significantly in the vicinity of device inter-layer interfaces such as at the interface between the emitter layer and the electron or hole transport layers. New results obtained from investigations of these phenomena in a wide range of commonly used host and guest OLED materials will be presented.
Graph isomorphism and adiabatic quantum computing
NASA Astrophysics Data System (ADS)
Gaitan, Frank; Clark, Lane
2014-03-01
In the Graph Isomorphism (GI) problem two N-vertex graphs G and G' are given and the task is to determine whether there exists a permutation of the vertices of G that preserves adjacency and maps G --> G'. If yes (no), then G and G' are said to be isomorphic (non-isomorphic). The GI problem is an important problem in computer science and is thought to be of comparable difficulty to integer factorization. We present a quantum algorithm that solves arbitrary instances of GI, and which provides a novel approach to determining all automorphisms of a graph. The algorithm converts a GI instance to a combinatorial optimization problem that can be solved using adiabatic quantum evolution. Numerical simulation of the algorithm's quantum dynamics shows that it correctly distinguishes non-isomorphic graphs; recognizes isomorphic graphs; and finds the automorphism group of a graph. We also discuss the algorithm's experimental implementation and show how it can be leveraged to solve arbitrary instances of the NP-Complete Sub-Graph Isomorphism problem.
Adiabatic Quantum Computation with Neutral Atoms
NASA Astrophysics Data System (ADS)
Biedermann, Grant
2013-03-01
We are implementing a new platform for adiabatic quantum computation (AQC)[2] based on trapped neutral atoms whose coupling is mediated by the dipole-dipole interactions of Rydberg states. Ground state cesium atoms are dressed by laser fields in a manner conditional on the Rydberg blockade mechanism,[3,4] thereby providing the requisite entangling interactions. As a benchmark we study a Quadratic Unconstrained Binary Optimization (QUBO) problem whose solution is found in the ground state spin configuration of an Ising-like model. In collaboration with Lambert Parazzoli, Sandia National Laboratories; Aaron Hankin, Center for Quantum Information and Control (CQuIC), University of New Mexico; James Chin-Wen Chou, Yuan-Yu Jau, Peter Schwindt, Cort Johnson, and George Burns, Sandia National Laboratories; Tyler Keating, Krittika Goyal, and Ivan Deutsch, Center for Quantum Information and Control (CQuIC), University of New Mexico; and Andrew Landahl, Sandia National Laboratories. This work was supported by the Laboratory Directed Research and Development program at Sandia National Laboratories
Adiabatic Quantum Algorithm for Search Engine Ranking
NASA Astrophysics Data System (ADS)
Garnerone, Silvano; Zanardi, Paolo; Lidar, Daniel A.
2012-06-01
We propose an adiabatic quantum algorithm for generating a quantum pure state encoding of the PageRank vector, the most widely used tool in ranking the relative importance of internet pages. We present extensive numerical simulations which provide evidence that this algorithm can prepare the quantum PageRank state in a time which, on average, scales polylogarithmically in the number of web pages. We argue that the main topological feature of the underlying web graph allowing for such a scaling is the out-degree distribution. The top-ranked log(n) entries of the quantum PageRank state can then be estimated with a polynomial quantum speed-up. Moreover, the quantum PageRank state can be used in “q-sampling” protocols for testing properties of distributions, which require exponentially fewer measurements than all classical schemes designed for the same task. This can be used to decide whether to run a classical update of the PageRank.
Adiabatic Compression Sensitivity of Liquid Fuels and Monopropellants
NASA Technical Reports Server (NTRS)
Ismail, Ismail M. K.; Hawkins, Tom W.
2000-01-01
Liquid rocket propellants can be sensitive to rapid compression. Such liquids may undergo decomposition and their handling may be accompanied with risk. Decomposition produces small gas bubbles in the liquid, which upon rapid compression may cause catastrophic explosions. The rapid compression can result from mechanical shocks applied on the tank containing the liquid or from rapid closure of the valves installed on the lines. It is desirable to determine the conditions that may promote explosive reactions. At Air Force Research Laboratory (AFRL), we constructed an apparatus and established a safe procedure for estimating the sensitivity of propellant materials towards mechanical shocks (Adiabatic Compression Tester). A sample is placed on a stainless steel U-tube, held isothermally at a temperature between 20 and 150 C then exposed to an abrupt mechanical shock of nitrogen gas at a pressure between 6.9 and 20.7 MPa (1000 to 3000 psi). The apparatus is computer interfaced and is driven with LABTECH NOTEBOOK-pro (registered) Software. In this presentation, the design of the apparatus is shown, the operating procedure is outlined, and the safety issues are addressed. The results obtained on different energetic materials are presented.
Bendall; Skinner
1998-10-01
for a single sech/tanh pulse. Residual splitting of the centerband, normally associated with incomplete or inefficient decoupling, is not seen in sech/tanh decoupling and therefore cannot be used as a measure of adiabatic decoupling efficiency. The calibrated experimental performance levels achieved in this study are within 20% of theoretical performance levels derived previously for ideal sech/tanh decoupling at high power, indicating a small scope for further improvement at practical RF power levels. The optimization procedures employed here will be generally applicable to any good combination of adiabatic inversion pulse and phase cycle. Copyright 1998 Academic Press. PMID:9761708
Adiabaticity and spectral splits in collective neutrino transformations
Raffelt, Georg G.; Smirnov, Alexei Yu.
2007-12-15
Neutrinos streaming off a supernova core transform collectively by neutrino-neutrino interactions, leading to 'spectral splits' where an energy E{sub split} divides the transformed spectrum sharply into parts of almost pure but different flavors. We present a detailed description of the spectral-split phenomenon which is conceptually and quantitatively understood in an adiabatic treatment of neutrino-neutrino effects. Central to this theory is a self-consistency condition in the form of two sum rules (integrals over the neutrino spectra that must equal certain conserved quantities). We provide explicit analytic and numerical solutions for various neutrino spectra. We introduce the concept of the adiabatic reference frame and elaborate on the relative adiabatic evolution. Violating adiabaticity leads to the spectral split being 'washed out'. The sharpness of the split appears to be represented by a surprisingly universal function.
Acceleration of adiabatic quantum dynamics in electromagnetic fields
Masuda, Shumpei; Nakamura, Katsuhiro
2011-10-15
We show a method to accelerate quantum adiabatic dynamics of wave functions under electromagnetic field (EMF) by developing the preceding theory [Masuda and Nakamura, Proc. R. Soc. London Ser. A 466, 1135 (2010)]. Treating the orbital dynamics of a charged particle in EMF, we derive the driving field which accelerates quantum adiabatic dynamics in order to obtain the final adiabatic states in any desired short time. The scheme is consolidated by describing a way to overcome possible singularities in both the additional phase and driving potential due to nodes proper to wave functions under EMF. As explicit examples, we exhibit the fast forward of adiabatic squeezing and transport of excited Landau states with nonzero angular momentum, obtaining the result consistent with the transitionless quantum driving applied to the orbital dynamics in EMF.
Adiabatic and isocurvature perturbation projections in multi-field inflation
NASA Astrophysics Data System (ADS)
Gordon, Chris; Saffin, Paul M.
2013-08-01
Current data are in good agreement with the predictions of single field inflation. However, the hemispherical asymmetry, seen in the cosmic microwave background data, may hint at a potential problem. Generalizing to multi-field models may provide one possible explanation. A useful way of modeling perturbations in multi-field inflation is to investigate the projection of the perturbation along and perpendicular to the background fields' trajectory. These correspond to the adiabatic and isocurvature perturbations. However, it is important to note that in general there are no corresponding adiabatic and isocurvature fields. The purpose of this article is to highlight the distinction between a field redefinition and a perturbation projection. We provide a detailed derivation of the evolution of the isocurvature perturbation to show that no assumption of an adiabatic or isocurvature field is needed. We also show how this evolution equation is consistent with the field covariant evolution equations for the adiabatic perturbation in the flat field space limit.
Startup of the RFP in a quasi-adiabatic mode
Caramana, E.J.
1980-01-01
The equations describing the purely adiabatic formation of the reversed-field pinch are solved. This method of formation in principle remedies the problem of flux consumption during the startup phase of this device.
Ultrafast stimulated Raman parallel adiabatic passage by shaped pulses
Dridi, G.; Guerin, S.; Hakobyan, V.; Jauslin, H. R.; Eleuch, H.
2009-10-15
We present a general and versatile technique of population transfer based on parallel adiabatic passage by femtosecond shaped pulses. Their amplitude and phase are specifically designed to optimize the adiabatic passage corresponding to parallel eigenvalues at all times. We show that this technique allows the robust adiabatic population transfer in a Raman system with the total pulse area as low as 3{pi}, corresponding to a fluence of one order of magnitude below the conventional stimulated Raman adiabatic passage process. This process of short duration, typically picosecond and subpicosecond, is easily implementable with the modern pulse shaper technology and opens the possibility of ultrafast robust population transfer with interesting applications in quantum information processing.
Quantum Monte Carlo simulations of tunneling in quantum adiabatic optimization
NASA Astrophysics Data System (ADS)
Brady, Lucas T.; van Dam, Wim
2016-03-01
We explore to what extent path-integral quantum Monte Carlo methods can efficiently simulate quantum adiabatic optimization algorithms during a quantum tunneling process. Specifically we look at symmetric cost functions defined over n bits with a single potential barrier that a successful quantum adiabatic optimization algorithm will have to tunnel through. The height and width of this barrier depend on n , and by tuning these dependencies, we can make the optimization algorithm succeed or fail in polynomial time. In this article we compare the strength of quantum adiabatic tunneling with that of path-integral quantum Monte Carlo methods. We find numerical evidence that quantum Monte Carlo algorithms will succeed in the same regimes where quantum adiabatic optimization succeeds.
Nonadiabatic transitions in finite-time adiabatic rapid passage
NASA Astrophysics Data System (ADS)
Lu, T.; Miao, X.; Metcalf, H.
2007-06-01
To apply the adiabatic rapid passage process repetitively [T. Lu, X. Miao, and H. Metcalf, Phys. Rev. A 71, 061405(R) (2005)], the nonadiabatic transition probability of a two-level atom subject to chirped light pulses over a finite period of time needs to be calculated. Using a unitary first-order perturbation method in the rotating adiabatic frame, an approximate formula has been derived for such transition probabilities in the entire parameter space of the pulses.
Realization of adiabatic Aharonov-Bohm scattering with neutrons
NASA Astrophysics Data System (ADS)
Sjöqvist, Erik; Almquist, Martin; Mattsson, Ken; Gürkan, Zeynep Nilhan; Hessmo, Björn
2015-11-01
The adiabatic Aharonov-Bohm (AB) effect is a manifestation of the Berry phase acquired when some slow variables take a planar spin around a loop. While the effect has been observed in molecular spectroscopy, direct measurement of the topological phase shift in a scattering experiment has been elusive in the past. Here, we demonstrate an adiabatic AB effect by explicit simulation of the dynamics of unpolarized very slow neutrons that scatter on a long straight current-carrying wire.
Shortcuts to adiabaticity for non-Hermitian systems
Ibanez, S.; Martinez-Garaot, S.; Torrontegui, E.; Muga, J. G.; Chen Xi
2011-08-15
Adiabatic processes driven by non-Hermitian, time-dependent Hamiltonians may be sped up by generalizing inverse engineering techniques based on counter-diabatic (transitionless driving) algorithms or on dynamical invariants. We work out the basic theory and examples described by two-level Hamiltonians: the acceleration of rapid adiabatic passage with a decaying excited level and of the dynamics of a classical particle on an expanding harmonic oscillator.
NASA Astrophysics Data System (ADS)
Hu, Hui; Wang, An-Bang; Yi, Su; Liu, Xia-Ji
2016-05-01
We theoretically investigate the behavior of a moving impurity immersed in a sea of fermionic atoms that are confined in a quasiperiodic (bichromatic) optical lattice within a standard variational approach. We consider both repulsive and attractive contact interactions for such a simple many-body localization problem of Fermi polarons. The variational approach enables us to access relatively large systems and therefore may be used to understand many-body localization in the thermodynamic limit. The energy and wave function of the polaron states are found to be strongly affected by the quasirandom lattice potential and their experimental measurements (i.e., via radio-frequency spectroscopy or quantum gas microscope) therefore provide a sensitive way to underpin the localization transition. We determine a phase diagram by calculating two critical quasirandom disorder strengths, which correspond to the onset of the localization of the ground-state polaron state and the many-body localization of all polaron states, respectively. Our predicted phase diagram could be straightforwardly examined in current cold-atom experiments.
NASA Astrophysics Data System (ADS)
Robey, H. F.; Smalyuk, V. A.; Milovich, J. L.; Döppner, T.; Casey, D. T.; Baker, K. L.; Peterson, J. L.; Bachmann, B.; Berzak Hopkins, L. F.; Bond, E.; Caggiano, J. A.; Callahan, D. A.; Celliers, P. M.; Cerjan, C.; Clark, D. S.; Dixit, S. N.; Edwards, M. J.; Gharibyan, N.; Haan, S. W.; Hammel, B. A.; Hamza, A. V.; Hatarik, R.; Hurricane, O. A.; Jancaitis, K. S.; Jones, O. S.; Kerbel, G. D.; Kroll, J. J.; Lafortune, K. N.; Landen, O. L.; Ma, T.; Marinak, M. M.; MacGowan, B. J.; MacPhee, A. G.; Pak, A.; Patel, M.; Patel, P. K.; Perkins, L. J.; Sayre, D. B.; Sepke, S. M.; Spears, B. K.; Tommasini, R.; Weber, C. R.; Widmayer, C. C.; Yeamans, C.; Giraldez, E.; Hoover, D.; Nikroo, A.; Hohenberger, M.; Gatu Johnson, M.
2016-05-01
A series of indirectly driven capsule implosions has been performed on the National Ignition Facility to assess the relative contributions of ablation-front instability growth vs. fuel compression on implosion performance. Laser pulse shapes for both low and high-foot pulses were modified to vary ablation-front growth and fuel adiabat, separately and controllably. Three principal conclusions are drawn from this study: (1) It is shown that reducing ablation-front instability growth in low-foot implosions results in a substantial (3-10X) increase in neutron yield with no loss of fuel compression. (2) It is shown that reducing the fuel adiabat in high-foot implosions results in a significant (36%) increase in fuel compression together with a small (10%) increase in neutron yield. (3) Increased electron preheat at higher laser power in high-foot implosions, however, appears to offset the gain in compression achieved by adiabat-shaping at lower power. These results taken collectively bridge the space between the higher compression low-foot results and the higher yield high-foot results.
Adiabatic Landau-Zener transitions at avoided level crossings with fast noise
NASA Astrophysics Data System (ADS)
Kenmoe, M. B.; Fai, L. C.
2015-11-01
Effects of a fast classical noise on adiabatic Landau-Zener (LZ) transitions between the (2 S + 1) Zeeman multiplets (diabatic states) of an arbitrary spin S at an avoided level crossing are investigated. The spin system is simultaneously coupled to a slow regular magnetic field and a fast random field with Gaussian realizations. In the longitudinal direction, the magnetic field changes its sign at the degeneracy point (and is unbounded at large positive and negative times t = ± ∞ far from the degeneracy point) while in its single transverse direction, it remains of constant amplitude. The noise is considered in the limit where its characteristic correlation time (decay time) is small enough compared to the characteristic time of adiabatic LZ transitions. With these considerations, the condition for adiabatic evolution allows us to analytically evaluate the populations of diabatic levels and coherence factors. The study is first implemented for two- (S = 1 / 2) and three- (S = 1) state systems and finally extended to arbitrary S. A numerical study is implemented allowing us to check/confirm the range of validity of our analytical solutions. We found a satisfactory quantitative agreement between numerical and analytical data.
Badot, J.C.; Dubrunfaut, O.
2011-12-15
This paper presents a study on the electrical transport properties of lithiated Cr{sub 0.11}V{sub 2}O{sub 5.16}, which can be used as a rechargeable cathodic material in lithium batteries. Dielectric and conductivity spectra of Li{sub x}Cr{sub 0.11}V{sub 2}O{sub 5.16} powders (x=0, 0.05, 0.40 and 1.20) were recorded in a broad frequency range of 10-10{sup 10} Hz at temperature varying between 300 and 400 K. Complex resistivity diagrams have enabled to obtain thermal behaviors of bulk dc-conductivity. Dielectric relaxations were found, attributed to small polarons and (intersite) bipolarons hopping. The transport properties are shown to be consistent with small polaron and bipolaron conduction models. The change from polaronic to bipolaronic conduction has been evidenced with the increase of the lithium content x from 0.40 to 1.20. This work opens up new prospects for a more fundamental understanding of the electronic transport in relation with the electrochemical properties of Cr{sub 0.11}V{sub 2}O{sub 5.16}. - Graphical Abstract: Schematic structure of Cr{sub 0.11}V{sub 2}O{sub 5.16}. Highlights: Black-Right-Pointing-Pointer Chromium-vanadium mixed oxide as cathodic material. Black-Right-Pointing-Pointer Broadband dielectric spectroscopy from low frequencies to microwaves. Black-Right-Pointing-Pointer Transition from polaron to bipolaron conduction as lithium content increases.
NASA Astrophysics Data System (ADS)
Perebeinos, Vasili
2001-12-01
Self-trapped states occur in many insulating solids but are not especially well-understood. There is a need for better theoretical models and better experimental tools for exploring these states. This thesis provides models for two kinds of materials LaMnO3 and NaCl, and predicts experimental effects which can be used to characterize such states. LaMnO3 is an insulating antiferromagnet which can be doped with holes over a wide concentration range, as in La1- xCaxMnO3. Here I study the regime x << 1 where particularly interesting and simple behavior is predicted. The model has electronic and lattice-vibrational degrees of freedom chosen to represent the Mn ion outer electronic states and their interaction with oxygen motions in the three dimensional perovskite crystal structure. Four independent types of data are available to choose three adjusted parameters. Using electronic structure calculations, optical conductivity and Raman spectra for this choice the predicted magnitude of the static Jahn-Teller distortion agrees within 10-15% with neutron diffraction data. I use the model to analyze and predict the self-localized states which form under optical excitation and under hole doping. In particular five types of behavior are analyzed: (1)the insulating nature of lightly doped LaMnO3 due to the anti-Jahn-Teller polaron formation; (2)phonon broadening due to the exciton formation; (3)polaronic angle-resolved- photoemission-spectra (ARPES); (4)Raman spectra due to the Franck-Condon mechanism; (5)the self-trapped exciton in NaCl and its optical properties including the Franck-Condon effect using the first-principles Density Functional Theory (DFT) calculations. Experimental confirmation of the predicted behavior for LaMnO3 will differentiate the Jahn-Teller model studied here from competing versions. The results given here are novel in five ways. (1)Essentially exact analytical polaronic spectra of the two-orbital model Hamiltonian have been obtained. (2)Self
Multivalency and polaronic hole trapping in BaBiO3
NASA Astrophysics Data System (ADS)
Franchini, Cesare
2010-03-01
The phase diagrams of hole-doped oxides have been one of the central issues of condensed-matter physics in the last 20 years. Whereas transition metal oxides are now fairly well understood, the physics of the conceivably ``simpler'' sp bonded oxides is less clear. How is it possible that some of these oxides remain insulating upon doping? By adopting hybrid density functional theory and self-consistent GW we show that the multivalency of the metal cations and the formation of polaronic lattice distortions (i.e the coupling between holes/electrons trapping on specific lattice sites and the accompanying polarization field) can explain this puzzling experimental observation. The example we have chosen is BaBiO3, which remains an insulator upon moderate hole doping and undergoes an insulator to superconductor transition around a hole concentration of 0.35. Pure BaBiO3 is characterized by a charge disproportionation (CD) with half of the Bi atoms possessing a valence 3+ and half a valence 5+. The CD goes in hand with significant structural and electronic changes from the ideal metallic cubic perovskite crystal (BaBi^4+O3) towards an insulating monoclinic structure (Ba2Bi^3+Bi^5+O6) characterized by a charge density wave state formed by alternating breathing-in/out distortions of oxygen octahedra around inequivalent Bi^5+/Bi^3+ ions [1]. Our results show that upon-hole doping Bi^3+ sites trap two holes from the valence band to form Bi^5+ cations, and that the trapping is accompanied by a distortion of the oxygen polarization field that surround the BiO6 octahedra. We show that the strong interaction between polarons ultimately causes an overlap between the polaronic band and the valence band resulting in a metallic non-disproportionated state [2]. [4pt] [1] C. Franchini, A. Sanna, M. Marsman & G. Kresse, arXiv:0803.0619v2 (2009).[0pt] [2] C. Franchini, G. Kresse & R. Podloucky, PRL 102, 256402 (2009).
Tunable spin-polaron state in a singly clamped semiconducting carbon nanotube
NASA Astrophysics Data System (ADS)
Pistolesi, F.; Shekhter, R.
2015-07-01
We consider a semiconducting carbon nanotube (CNT) lying on a ferromagnetic insulating substrate with one end passing the substrate and suspended over a metallic gate. We assume that the polarized substrate induces an exchange interaction acting as a local magnetic field for the electrons in the nonsuspended CNT side. Generalizing the approach of I. Snyman and Yu.V. Nazarov [Phys. Rev. Lett. 108, 076805 (2012), 10.1103/PhysRevLett.108.076805], we show that one can generate electrostatically a tunable spin-polarized polaronic state localized at the bending end of the CNT. We argue that at low temperatures manipulation and detection of the localized quantum spin state are possible.
Trimers, Molecules, and Polarons in Mass-Imbalanced Atomic Fermi Gases
Mathy, Charles J. M.; Parish, Meera M.; Huse, David A.
2011-04-22
We consider the ground state of a single ''spin-down'' impurity atom interacting attractively with a ''spin-up'' atomic Fermi gas. By constructing variational wave functions for polarons, molecules, and trimers, we perform a detailed study of the transitions between these dressed bound states as a function of mass ratio r=m{sub {up_arrow}}/m{sub {down_arrow}} and interaction strength. Crucially, we find that the presence of a Fermi sea enhances the stability of the p-wave trimer, which can be viewed as a Fulde-Ferrell-Larkin-Ovchinnikov molecule that has bound an additional majority atom. For sufficiently large r, we find that the transitions lie outside the region of phase separation of the imbalanced Fermi gas and should thus be observable in experiment, unlike the well-studied equal-mass case.
Polaron-molecule transitions in a two-dimensional Fermi gas
Parish, Meera M.
2011-05-15
We address the problem of a single 'spin-down' impurity atom interacting attractively with a spin-up Fermi gas in two dimensions (2D). We consider the case where the mass of the impurity is greater than or equal to the mass of a spin-up fermion. Using a variational approach, we resolve the questions raised by previous studies and show that there is, in fact, a transition between polaron and molecule (dimer) ground states in 2D. For the molecule state, we use a variational wave function with a single particle-hole excitation on the Fermi sea and we find that its energy matches that of the exact solution in the limit of infinite impurity mass. Thus, we expect the variational approach to provide a reliable tool for investigating 2D systems.
Single-polaron properties for double-well electron-phonon coupling
NASA Astrophysics Data System (ADS)
Adolphs, Clemens; Berciu, Mona
2014-03-01
We introduce a new model to describe electron-phonon coupling in systems such as one-dimensional intercalated chains or two-dimensional CuO2 planes, where symmetry dictates that the linear coupling term vanishes. We show that, under certain conditions, an additional charge carrier dynamically changes the local lattice potential from a harmonic well into a double well. We use the Momentum Average approximation to study the properties of this model in the single-polaron limit. A detailed analysis reveals that despite some qualitative similarities to the linear Holstein model, a renormalized Holstein model cannot account for all of the physics of the double-well model. We thank NSERC and QMI for financial support.
Phonon-mediated interactions and polaron formation of slow-light polaritons in a BEC
NASA Astrophysics Data System (ADS)
Haug, Hanna-Lena; Fleischhauer, Michael
2014-05-01
We study the motion of dark-state polaritons (DSP) in a Bose-Einstein condensate. DSPs are formed in an atomic ensemble interacting in a Λ-type configuration with two light fields under conditions of electromagnetically induced transparency. In particular, we consider the ground-state atoms to form a BEC which can be well described by a macroscopic Gross-Pitaevskii wavefunction. Taking into account the interaction of pairs of ground-state atoms and between ground and spin-state atoms leads to the formation of polaronic quasi-particles consisting of DSPs and Bogoliubov phonons. In additon, the coupling to phonons results into a coupling between dark and bright-state polaritons as well as into phonon-mediated interactions between DSPs.
Adiabatic condition and the quantum hitting time of Markov chains
Krovi, Hari; Ozols, Maris; Roland, Jeremie
2010-08-15
We present an adiabatic quantum algorithm for the abstract problem of searching marked vertices in a graph, or spatial search. Given a random walk (or Markov chain) P on a graph with a set of unknown marked vertices, one can define a related absorbing walk P{sup '} where outgoing transitions from marked vertices are replaced by self-loops. We build a Hamiltonian H(s) from the interpolated Markov chain P(s)=(1-s)P+sP{sup '} and use it in an adiabatic quantum algorithm to drive an initial superposition over all vertices to a superposition over marked vertices. The adiabatic condition implies that, for any reversible Markov chain and any set of marked vertices, the running time of the adiabatic algorithm is given by the square root of the classical hitting time. This algorithm therefore demonstrates a novel connection between the adiabatic condition and the classical notion of hitting time of a random walk. It also significantly extends the scope of previous quantum algorithms for this problem, which could only obtain a full quadratic speedup for state-transitive reversible Markov chains with a unique marked vertex.
Photoinduced dynamics in doped Mott insulators with polaronic conduction: Ba2Ti13O22 and BaxTi8O16
NASA Astrophysics Data System (ADS)
Yamaguchi, N.; Furuhashi, A.; Nishihara, H.; Murata, R.; Takayama, K.; Katsufuji, T.
2016-07-01
To clarify the dynamics of polarons in doped Mott insulators, we performed pump-probe reflectivity measurements for two barium titanates, Ba2Ti13O22 and BaxTi8O16 , with a noninteger average number of d electrons per Ti. We found that the photoinduced dynamics in Ba2Ti13O22 with a three-dimensional electronic structure is characterized by a broadening of the polaron-excitation peak immediately after photoirradiation, whereas that in BaxTi8O16 with a one-dimensional electronic structure is characterized by a change in the intensities of the polaron-excitation peak and charge-gap-excitation peak with time. This indicates that a difference in dimensionality results in different photoinduced dynamics of polarons in doped Mott insulators.
Integrated polarization rotator/converter by stimulated Raman adiabatic passage.
Xiong, Xiao; Zou, Chang-Ling; Ren, Xi-Feng; Guo, Guang-Can
2013-07-15
We proposed a polarization rotator inspired by stimulated Raman adiabatic passage model from quantum optics, which is composed of a signal waveguide and an ancillary waveguide. The two orthogonal modes in signal waveguide and the oblique mode in ancillary waveguide form a Λ-type three-level system. By controlling the width of signal waveguide and the gap between two waveguides, adiabatic conversion between two orthogonal modes can be realized in the signal waveguide. With such adiabatic passage, polarization conversion is completed within 150 μm length, with the efficiencies over 99% for both conversions between horizontal polarization and vertical polarization. In addition, such a polarization rotator is quite robust against fabrication error, allowing a wide range of tolerances for the rotator geometric parameters. Our work is not only significative to photonic simulations of coherent quantum phenomena with engineered photonic waveguides, but also enlightens the practical applications of these phenomena in optical device designs. PMID:23938558
Adiabatic compressibility of myoglobin. Effect of axial ligand and denaturation.
Leung, W P; Cho, K C; Lo, Y M; Choy, C L
1986-03-01
An ultrasonic technique has been employed to study the adiabatic compressibility of three metmyoglobin derivatives (aquomet-, fluoromet- and azidometmyoglobin) at neutral pH, and aquometmyoglobin as a function of pH in the frequency range of 1-10 MHz at 20 degrees C. No difference was observed in the adiabatic compressibility of the various derivatives. This indicates that the binding of different axial ligands to myoglobin does not affect significantly the conformational fluctuations of the protein. The finding is consistent with the results of the hydrogen exchange rate experiment, indicating that both types of measurements are useful for the study of protein dynamics. Upon acid-induced denaturation, the adiabatic compressibility of myoglobin drops from 5.3 X 10(-12) cm2/dyn to 0.5 X 10(-12) cm2/dyn. Plausible reasons for such a decrease are discussed. PMID:3947645
Effect of dephasing on stimulated Raman adiabatic passage
Ivanov, P.A.; Vitanov, N.V.; Bergmann, K.
2004-12-01
This work explores the effect of phase relaxation on the population transfer efficiency in stimulated Raman adiabatic passage (STIRAP). The study is based on the Liouville equation, which is solved analytically in the adiabatic limit. The transfer efficiency of STIRAP is found to decrease exponentially with the dephasing rate; this effect is stronger for shorter pulse delays and weaker for larger delays, since the transition time is found to be inversely proportional to the pulse delay. Moreover, it is found that the transfer efficiency of STIRAP in the presence of dephasing does not depend on the peak Rabi frequencies at all, as long as they are sufficiently large to enforce adiabatic evolution; hence increasing the field intensity cannot reduce the dephasing losses. It is shown also that for any dephasing rate, the final populations of the initial state and the intermediate state are equal. For strong dephasing all three populations tend to (1/3)
Interaction-induced adiabatic cooling for antiferromagnetism in optical lattices
Dare, A.-M.; Raymond, L.; Albinet, G.; Tremblay, A.-M. S.
2007-08-01
In the experimental context of cold-fermion optical lattices, we discuss the possibilities to approach the pseudogap or ordered phases by manipulating the scattering length or the strength of the laser-induced lattice potential. Using the two-particle self-consistent approach, as well as quantum Monte Carlo simulations, we provide isentropic curves for the two- and three-dimensional Hubbard models at half-filling. These quantitative results are important for practical attempts to reach the ordered antiferromagnetic phase in experiments on optical lattices of two-component fermions. We find that adiabatically turning on the interaction in two dimensions to cool the system is not very effective. In three dimensions, adiabatic cooling to the antiferromagnetic phase can be achieved in such a manner, although the cooling efficiency is not as high as initially suggested by dynamical mean-field theory. Adiabatic cooling by turning off the repulsion beginning at strong coupling is possible in certain cases.
Adiabatic Quantum Programming: Minor Embedding With Hard Faults
Klymko, Christine F; Sullivan, Blair D; Humble, Travis S
2013-01-01
Adiabatic quantum programming defines the time-dependent mapping of a quantum algorithm into the hardware or logical fabric. An essential programming step is the embedding of problem-specific information into the logical fabric to define the quantum computational transformation. We present algorithms for embedding arbitrary instances of the adiabatic quantum optimization algorithm into a square lattice of specialized unit cells. Our methods are shown to be extensible in fabric growth, linear in time, and quadratic in logical footprint. In addition, we provide methods for accommodating hard faults in the logical fabric without invoking approximations to the original problem. These hard fault-tolerant embedding algorithms are expected to prove useful for benchmarking the adiabatic quantum optimization algorithm on existing quantum logical hardware. We illustrate this versatility through numerical studies of embeddabilty versus hard fault rates in square lattices of complete bipartite unit cells.
Shortcuts to adiabaticity in a time-dependent box
Campo, A. del; Boshier, M. G.
2012-01-01
A method is proposed to drive an ultrafast non-adiabatic dynamics of an ultracold gas trapped in a time-dependent box potential. The resulting state is free from spurious excitations associated with the breakdown of adiabaticity, and preserves the quantum correlations of the initial state up to a scaling factor. The process relies on the existence of an adiabatic invariant and the inversion of the dynamical self-similar scaling law dictated by it. Its physical implementation generally requires the use of an auxiliary expulsive potential. The method is extended to a broad family of interacting many-body systems. As illustrative examples we consider the ultrafast expansion of a Tonks-Girardeau gas and of Bose-Einstein condensates in different dimensions, where the method exhibits an excellent robustness against different regimes of interactions and the features of an experimentally realizable box potential. PMID:22970340
Pressure sensitivity of adiabatic shear banding in metals
NASA Astrophysics Data System (ADS)
Hanina, E.; Rittel, D.; Rosenberg, Z.
2007-01-01
Adiabatic shear banding (ASB) is a dynamic failure mode characterized by large plastic strains in a narrow localized band. ASB occurs at high strain rates (ɛ˙⩾103s-1), under adiabatic conditions leading to a significant temperature rise inside the band [H. Tresca, Annales du Conservatoire des Arts et Métiers 4, (1879); Y. L. Bai and B. Dodd, Adiabatic Shear Localization-Occurrence, Theories, and Applications (Pergamon, Oxford, 1992); M. A. Meyers, Dynamic Behavior of Materials (Wiley, New York, 1994).; and J. J. Lewandowski and L. M. Greer, Nat. Mater. 5, 15 (2006)]. Large hydrostatic pressures are experienced in many dynamic applications involving ASB formation (e.g., ballistic penetration, impact, and machining). The relationship between hydrostatic pressure and ASB development remains an open question, although its importance has been often noted. This letter reports original experimental results indicating a linear relationship between the (normalized) dynamic deformation energy and the (normalized) hydrostatic pressure.
Adiabatic quantum programming: minor embedding with hard faults
NASA Astrophysics Data System (ADS)
Klymko, Christine; Sullivan, Blair D.; Humble, Travis S.
2013-11-01
Adiabatic quantum programming defines the time-dependent mapping of a quantum algorithm into an underlying hardware or logical fabric. An essential step is embedding problem-specific information into the quantum logical fabric. We present algorithms for embedding arbitrary instances of the adiabatic quantum optimization algorithm into a square lattice of specialized unit cells. These methods extend with fabric growth while scaling linearly in time and quadratically in footprint. We also provide methods for handling hard faults in the logical fabric without invoking approximations to the original problem and illustrate their versatility through numerical studies of embeddability versus fault rates in square lattices of complete bipartite unit cells. The studies show that these algorithms are more resilient to faulty fabrics than naive embedding approaches, a feature which should prove useful in benchmarking the adiabatic quantum optimization algorithm on existing faulty hardware.
Non Adiabatic Evolution of Elliptical Galaxies by Dynamical Friction
NASA Astrophysics Data System (ADS)
Arena, S. E.; Bertin, G.; Liseikina, T.; Pegoraro, F.
2007-05-01
Many astrophysical problems, ranging from structure formation in cosmology to dynamics of elliptical galaxies, refer to slow processes of evolution of essentially collisionless self-gravitating systems. In order to determine the relevant quasi-equilibrium configuration at time t from given initial conditions, it is often argued that such slow evolution may be approximated in terms of adiabatic evolution, for the calculation of which efficient semi--analytical techniques are available. Here we focus on the slow process of evolution, induced by dynamical friction of a host stellar system on a minority component of "satellites", to determine to what extent an adiabatic description might be applied. The study is realized by means of N--body simulations of the evolution of the total system (the stellar system plus the minority component), in a controlled numerical environment. In particular, we compare the evolution from initial to final configurations of the system subject to dynamical friction with that of the same system evolved adiabatically (in the absence of dynamical friction). We consider two classes of galaxy models characterized by significantly different density and pressure anisotropy profiles. We demonstrate that, for the examined process, the evolution driven by dynamical friction is significantly different from the adiabatic case, not only quantitatively, but also qualitatively. The two classes of galaxy models considered in this investigation exhibit generally similar trends in evolution, with one exception: concentrated models reach a final total density profile, in the internal region, shallower than the initial one, while galaxy models with a broad core show the opposite behaviour. The evolution of elliptical galaxies induced by dynamical friction is a slow process but it is not adiabatic. The results of our investigation should be taken as a warning against the indiscriminate use of adiabatic growth prescriptions in studies of the structure of
Adiabatic invariants, diffusion and acceleration in rigid body dynamics
NASA Astrophysics Data System (ADS)
Borisov, Alexey V.; Mamaev, Ivan S.
2016-03-01
The onset of adiabatic chaos in rigid body dynamics is considered. A comparison of the analytically calculated diffusion coefficient describing probabilistic effects in the zone of chaos with a numerical experiment is made. An analysis of the splitting of asymptotic surfaces is performed and uncertainty curves are constructed in the Poincaré-Zhukovsky problem. The application of Hamiltonian methods to nonholonomic systems is discussed. New problem statements are given which are related to the destruction of an adiabatic invariant and to the acceleration of the system (Fermi's acceleration).
Adiabatic Rosen-Zener interferometry with ultracold atoms
Fu Libin; Ye Defa; Lee Chaohong; Zhang Weiping; Liu Jie
2009-07-15
We propose a time-domain 'interferometer' based on double-well ultracold atoms through a so-called adiabatic Rosen-Zener process, that is, the barrier between two wells is ramped down slowly, held for a while, and then ramped back. After the adiabatic Rosen-Zener process, we count the particle population in each well. We find that the final occupation probability shows nice interference fringes. The fringe pattern is sensitive to the initial state as well as the intrinsic parameters of the system such as interatomic interaction or energy bias between two wells. The underlying mechanism is revealed and possible applications are discussed.
Quantum dynamics by the constrained adiabatic trajectory method
Leclerc, A.; Jolicard, G.; Guerin, S.; Killingbeck, J. P.
2011-03-15
We develop the constrained adiabatic trajectory method (CATM), which allows one to solve the time-dependent Schroedinger equation constraining the dynamics to a single Floquet eigenstate, as if it were adiabatic. This constrained Floquet state (CFS) is determined from the Hamiltonian modified by an artificial time-dependent absorbing potential whose forms are derived according to the initial conditions. The main advantage of this technique for practical implementation is that the CFS is easy to determine even for large systems since its corresponding eigenvalue is well isolated from the others through its imaginary part. The properties and limitations of the CATM are explored through simple examples.
Speeding up Adiabatic Quantum State Transfer by Using Dressed States
NASA Astrophysics Data System (ADS)
Baksic, Alexandre; Ribeiro, Hugo; Clerk, Aashish A.
2016-06-01
We develop new pulse schemes to significantly speed up adiabatic state transfer protocols. Our general strategy involves adding corrections to an initial control Hamiltonian that harness nonadiabatic transitions. These corrections define a set of dressed states that the system follows exactly during the state transfer. We apply this approach to stimulated Raman adiabatic passage protocols and show that a suitable choice of dressed states allows one to design fast protocols that do not require additional couplings, while simultaneously minimizing the occupancy of the "intermediate" level.
Gravitational Chern-Simons and the adiabatic limit
McLellan, Brendan
2010-12-15
We compute the gravitational Chern-Simons term explicitly for an adiabatic family of metrics using standard methods in general relativity. We use the fact that our base three-manifold is a quasiregular K-contact manifold heavily in this computation. Our key observation is that this geometric assumption corresponds exactly to a Kaluza-Klein Ansatz for the metric tensor on our three-manifold, which allows us to translate our problem into the language of general relativity. Similar computations have been performed by Guralnik et al.[Ann. Phys. 308, 222 (2008)], although not in the adiabatic context.
Spatial adiabatic passage: a review of recent progress
NASA Astrophysics Data System (ADS)
Menchon-Enrich, R.; Benseny, A.; Ahufinger, V.; Greentree, A. D.; Busch, Th; Mompart, J.
2016-07-01
Adiabatic techniques are known to allow for engineering quantum states with high fidelity. This requirement is currently of large interest, as applications in quantum information require the preparation and manipulation of quantum states with minimal errors. Here we review recent progress on developing techniques for the preparation of spatial states through adiabatic passage, particularly focusing on three state systems. These techniques can be applied to matter waves in external potentials, such as cold atoms or electrons, and to classical waves in waveguides, such as light or sound.
Spatial adiabatic passage: a review of recent progress.
Menchon-Enrich, R; Benseny, A; Ahufinger, V; Greentree, A D; Busch, Th; Mompart, J
2016-07-01
Adiabatic techniques are known to allow for engineering quantum states with high fidelity. This requirement is currently of large interest, as applications in quantum information require the preparation and manipulation of quantum states with minimal errors. Here we review recent progress on developing techniques for the preparation of spatial states through adiabatic passage, particularly focusing on three state systems. These techniques can be applied to matter waves in external potentials, such as cold atoms or electrons, and to classical waves in waveguides, such as light or sound. PMID:27245462
Adiabatic fluctuations from cosmic strings in a contracting universe
Brandenberger, Robert H.; Takahashi, Tomo; Yamaguchi, Masahide E-mail: tomot@cc.saga-u.ac.jp
2009-07-01
We show that adiabatic, super-Hubble, and almost scale invariant density fluctuations are produced by cosmic strings in a contracting universe. An essential point is that isocurvature perturbations produced by topological defects such as cosmic strings on super-Hubble scales lead to a source term which seeds the growth of curvature fluctuations on these scales. Once the symmetry has been restored at high temperatures, the isocurvature seeds disappear, and the fluctuations evolve as adiabatic ones in the expanding phase. Thus, cosmic strings may be resurrected as a mechanism for generating the primordial density fluctuations observed today.
Quantum Adiabatic Pumping by Modulating Tunnel Phase in Quantum Dots
NASA Astrophysics Data System (ADS)
Taguchi, Masahiko; Nakajima, Satoshi; Kubo, Toshihiro; Tokura, Yasuhiro
2016-08-01
In a mesoscopic system, under zero bias voltage, a finite charge is transferred by quantum adiabatic pumping by adiabatically and periodically changing two or more control parameters. We obtained expressions for the pumped charge for a ring of three quantum dots (QDs) by choosing the magnetic flux penetrating the ring as one of the control parameters. We found that the pumped charge shows a steplike behavior with respect to the variance of the flux. The value of the step heights is not universal but depends on the trajectory of the control parameters. We discuss the physical origin of this behavior on the basis of the Fano resonant condition of the ring.
Classical nuclear motion coupled to electronic non-adiabatic transitions
NASA Astrophysics Data System (ADS)
Agostini, Federica; Abedi, Ali; Gross, E. K. U.
2014-12-01
Based on the exact factorization of the electron-nuclear wave function, we have recently proposed a mixed quantum-classical scheme [A. Abedi, F. Agostini, and E. K. U. Gross, Europhys. Lett. 106, 33001 (2014)] to deal with non-adiabatic processes. Here we present a comprehensive description of the formalism, including the full derivation of the equations of motion. Numerical results are presented for a model system for non-adiabatic charge transfer in order to test the performance of the method and to validate the underlying approximations.
Classical nuclear motion coupled to electronic non-adiabatic transitions
Agostini, Federica; Abedi, Ali; Gross, E. K. U.
2014-12-07
Based on the exact factorization of the electron-nuclear wave function, we have recently proposed a mixed quantum-classical scheme [A. Abedi, F. Agostini, and E. K. U. Gross, Europhys. Lett. 106, 33001 (2014)] to deal with non-adiabatic processes. Here we present a comprehensive description of the formalism, including the full derivation of the equations of motion. Numerical results are presented for a model system for non-adiabatic charge transfer in order to test the performance of the method and to validate the underlying approximations.
Real space imaging of spin polarons in Zn-doped SrCu(2)(BO(3))(2).
Yoshida, M; Kobayashi, H; Yamauchi, I; Takigawa, M; Capponi, S; Poilblanc, D; Mila, F; Kudo, K; Koike, Y; Kobayashi, N
2015-02-01
We report on the real space profile of spin polarons in the quasi-two-dimensional frustrated dimer spin system SrCu(2)(BO(3))(2) doped with 0.16% of Zn. The (11)B nuclear magnetic resonance spectrum exhibits 15 additional boron sites near nonmagnetic Zn impurities. With the help of exact diagonalizations of finite clusters, we have deduced from the boron spectrum, the distribution of local magnetizations at the Cu sites with fine spatial resolution, providing direct evidence for an extended spin polaron. The results are confronted with those of other experiments performed on doped and undoped samples of SrCu(2)(BO(3))(2). PMID:25699459
Non-adiabatic and adiabatic transitions at level crossing with decay: two- and three-level systems
NASA Astrophysics Data System (ADS)
Kenmoe, M. B.; Mkam Tchouobiap, S. E.; Kenfack Sadem, C.; Tchapda, A. B.; Fai, L. C.
2015-03-01
We investigate the Landau-Zener (LZ) like dynamics of decaying two- and three-level systems with decay rates {{Γ }1} and {{Γ }2} for levels with minimum and maximum spin projection. Non-adiabatic and adiabatic transition probabilities are calculated from diabatic and adiabatic bases for two- and three-level systems. We extend the familiar two-level model of atoms with decay from the excited state out of the system into the hierarchy of three-level models which can be solved analytically or computationally in a non-perturbative manner. Exact analytical solutions are obtained within the framework of an extended form of the proposed procedure which enables to take into account all possible initial moments rather than large negative time {{t}0}=-∞ as in standard LZ problems. We elucidate the applications of our results from a unified theoretical basis that numerically analyzes the dynamics of a system as probed by experiments.
NASA Astrophysics Data System (ADS)
Damjanović, Ana; Kosztin, Ioan; Kleinekathöfer, Ulrich; Schulten, Klaus
2002-03-01
The dynamics of pigment-pigment and pigment-protein interactions in light-harvesting complexes is studied with an approach that combines molecular dynamics simulations with quantum chemistry calculations and a polaron model analysis. The molecular dynamics simulation of light-harvesting (LH) complexes was performed on an 87 055 atom system comprised of a LH-II complex of Rhodospirillum molischianum embedded in a lipid bilayer and surrounded with appropriate water layers. For each of the 16 B850 bacteriochlorophylls (BChls), we performed 400 ab initio quantum chemistry calculations on geometries that emerged from the molecular dynamical simulations, determining the fluctuations of pigment excitation energies as a function of time. From the results of these calculations we construct a time-dependent Hamiltonian of the B850 exciton system from which we determine within linear response theory the absorption spectrum. Finally, a polaron model is introduced to describe both the excitonic and coupled phonon degrees of freedom by quantum mechanics. The exciton-phonon coupling that enters into the polaron model, and the corresponding phonon spectral function, are derived from the molecular dynamics and quantum chemistry simulations. The model predicts that excitons in the B850 BChl ring are delocalized over five pigments at room temperature. Also, the polaron model permits the calculation of the absorption and circular dichroism spectra of the B850 excitons from the sole knowledge of the autocorrelation function of the excitation energies of individual BChls, which is readily available from the combined molecular dynamics and quantum chemistry simulations. The obtained results are found to be in good agreement with the experimentally measured absorption and circular dichroism spectra.
NASA Astrophysics Data System (ADS)
Kimura, Jun-Ichi; Kawabata, Hiroshi
2014-06-01
numerical mass balance calculation model for the adiabatic melting of a dry to hydrous peridotite has been programmed in order to simulate the trace element compositions of basalts from mid-ocean ridges, back-arc basins, ocean islands, and large igneous provinces. The Excel spreadsheet-based calculator, Hydrous Adiabatic Mantle Melting Simulator version 1 (HAMMS1) uses (1) a thermodynamic model of fractional adiabatic melting of mantle peridotite, with (2) the parameterized experimental melting relationships of primitive to depleted mantle sources in terms of pressure, temperature, water content, and degree of partial melting. The trace element composition of the model basalt is calculated from the accumulated incremental melts within the adiabatic melting regime, with consideration for source depletion. The mineralogic mode in the primitive to depleted source mantle in adiabat is calculated using parameterized experimental results. Partition coefficients of the trace elements of mantle minerals are parameterized to melt temperature mostly from a lattice strain model and are tested using the latest compilations of experimental results. The parameters that control the composition of trace elements in the model are as follows: (1) mantle potential temperature, (2) water content in the source mantle, (3) depth of termination of adiabatic melting, and (4) source mantle depletion. HAMMS1 enables us to obtain the above controlling parameters using Monte Carlo fitting calculations and by comparing the calculated basalt compositions to primary basalt compositions. Additionally, HAMMS1 compares melting parameters with a major element model, which uses petrogenetic grids formulated from experimental results, thus providing better constraints on the source conditions.
Adiabatic quantum computing with phase modulated laser pulses
Goswami, Debabrata
2005-01-01
Implementation of quantum logical gates for multilevel systems is demonstrated through decoherence control under the quantum adiabatic method using simple phase modulated laser pulses. We make use of selective population inversion and Hamiltonian evolution with time to achieve such goals robustly instead of the standard unitary transformation language. PMID:17195865
A Kinetic Study of the Adiabatic Polymerization of Acrylamide.
ERIC Educational Resources Information Center
Thomson, R. A. M.
1986-01-01
Discusses theory, procedures, and results for an experiment which demonstrates the application of basic physics to chemical problems. The experiment involves the adiabatic process, in which polymerization carried out in a vacuum flask is compared to the theoretical prediction of the model with the temperature-time curve obtained in practice. (JN)
The flat Grothendieck-Riemann-Roch theorem without adiabatic techniques
NASA Astrophysics Data System (ADS)
Ho, Man-Ho
2016-09-01
In this paper we give a simplified proof of the flat Grothendieck-Riemann-Roch theorem. The proof makes use of the local family index theorem and basic computations of the Chern-Simons form. In particular, it does not involve any adiabatic limit computation of the reduced eta-invariant.
Fast Quasi-Adiabatic Gas Cooling: An Experiment Revisited
ERIC Educational Resources Information Center
Oss, S.; Gratton, L. M.; Calza, G.; Lopez-Arias, T.
2012-01-01
The well-known experiment of the rapid expansion and cooling of the air contained in a bottle is performed with a rapidly responsive, yet very cheap thermometer. The adiabatic, low temperature limit is approached quite closely and measured with our apparatus. A straightforward theoretical model for this process is also presented and discussed.…
Failure of geometric electromagnetism in the adiabatic vector Kepler problem
Anglin, J.R.; Schmiedmayer, J.
2004-02-01
The magnetic moment of a particle orbiting a straight current-carrying wire may precess rapidly enough in the wire's magnetic field to justify an adiabatic approximation, eliminating the rapid time dependence of the magnetic moment and leaving only the particle position as a slow degree of freedom. To zeroth order in the adiabatic expansion, the orbits of the particle in the plane perpendicular to the wire are Keplerian ellipses. Higher-order postadiabatic corrections make the orbits precess, but recent analysis of this 'vector Kepler problem' has shown that the effective Hamiltonian incorporating a postadiabatic scalar potential ('geometric electromagnetism') fails to predict the precession correctly, while a heuristic alternative succeeds. In this paper we resolve the apparent failure of the postadiabatic approximation, by pointing out that the correct second-order analysis produces a third Hamiltonian, in which geometric electromagnetism is supplemented by a tensor potential. The heuristic Hamiltonian of Schmiedmayer and Scrinzi is then shown to be a canonical transformation of the correct adiabatic Hamiltonian, to second order. The transformation has the important advantage of removing a 1/r{sup 3} singularity which is an artifact of the adiabatic approximation.
When an Adiabatic Irreversible Expansion or Compression Becomes Reversible
ERIC Educational Resources Information Center
Anacleto, Joaquim; Ferreira, J. M.; Soares, A. A.
2009-01-01
This paper aims to contribute to a better understanding of the concepts of a "reversible process" and "entropy". For this purpose, an adiabatic irreversible expansion or compression is analysed, by considering that an ideal gas is expanded (compressed), from an initial pressure P[subscript i] to a final pressure P[subscript f], by being placed in…
Digitized adiabatic quantum computing with a superconducting circuit.
Barends, R; Shabani, A; Lamata, L; Kelly, J; Mezzacapo, A; Las Heras, U; Babbush, R; Fowler, A G; Campbell, B; Chen, Yu; Chen, Z; Chiaro, B; Dunsworth, A; Jeffrey, E; Lucero, E; Megrant, A; Mutus, J Y; Neeley, M; Neill, C; O'Malley, P J J; Quintana, C; Roushan, P; Sank, D; Vainsencher, A; Wenner, J; White, T C; Solano, E; Neven, H; Martinis, John M
2016-06-01
Quantum mechanics can help to solve complex problems in physics and chemistry, provided they can be programmed in a physical device. In adiabatic quantum computing, a system is slowly evolved from the ground state of a simple initial Hamiltonian to a final Hamiltonian that encodes a computational problem. The appeal of this approach lies in the combination of simplicity and generality; in principle, any problem can be encoded. In practice, applications are restricted by limited connectivity, available interactions and noise. A complementary approach is digital quantum computing, which enables the construction of arbitrary interactions and is compatible with error correction, but uses quantum circuit algorithms that are problem-specific. Here we combine the advantages of both approaches by implementing digitized adiabatic quantum computing in a superconducting system. We tomographically probe the system during the digitized evolution and explore the scaling of errors with system size. We then let the full system find the solution to random instances of the one-dimensional Ising problem as well as problem Hamiltonians that involve more complex interactions. This digital quantum simulation of the adiabatic algorithm consists of up to nine qubits and up to 1,000 quantum logic gates. The demonstration of digitized adiabatic quantum computing in the solid state opens a path to synthesizing long-range correlations and solving complex computational problems. When combined with fault-tolerance, our approach becomes a general-purpose algorithm that is scalable. PMID:27279216
Digitized adiabatic quantum computing with a superconducting circuit
NASA Astrophysics Data System (ADS)
Barends, R.; Shabani, A.; Lamata, L.; Kelly, J.; Mezzacapo, A.; Heras, U. Las; Babbush, R.; Fowler, A. G.; Campbell, B.; Chen, Yu; Chen, Z.; Chiaro, B.; Dunsworth, A.; Jeffrey, E.; Lucero, E.; Megrant, A.; Mutus, J. Y.; Neeley, M.; Neill, C.; O’Malley, P. J. J.; Quintana, C.; Roushan, P.; Sank, D.; Vainsencher, A.; Wenner, J.; White, T. C.; Solano, E.; Neven, H.; Martinis, John M.
2016-06-01
Quantum mechanics can help to solve complex problems in physics and chemistry, provided they can be programmed in a physical device. In adiabatic quantum computing, a system is slowly evolved from the ground state of a simple initial Hamiltonian to a final Hamiltonian that encodes a computational problem. The appeal of this approach lies in the combination of simplicity and generality; in principle, any problem can be encoded. In practice, applications are restricted by limited connectivity, available interactions and noise. A complementary approach is digital quantum computing, which enables the construction of arbitrary interactions and is compatible with error correction, but uses quantum circuit algorithms that are problem-specific. Here we combine the advantages of both approaches by implementing digitized adiabatic quantum computing in a superconducting system. We tomographically probe the system during the digitized evolution and explore the scaling of errors with system size. We then let the full system find the solution to random instances of the one-dimensional Ising problem as well as problem Hamiltonians that involve more complex interactions. This digital quantum simulation of the adiabatic algorithm consists of up to nine qubits and up to 1,000 quantum logic gates. The demonstration of digitized adiabatic quantum computing in the solid state opens a path to synthesizing long-range correlations and solving complex computational problems. When combined with fault-tolerance, our approach becomes a general-purpose algorithm that is scalable.
Nonadiabatic quantum Liouville and master equations in the adiabatic basis
Jang, Seogjoo
2012-12-14
A compact form of nonadiabatic molecular Hamiltonian in the basis of adiabatic electronic states and nuclear position states is presented. The Hamiltonian, which includes both the first and the second derivative couplings, is Hermitian and thus leads to a standard expression for the quantum Liouville equation for the density operator. With the application of a projection operator technique, a quantum master equation for the diagonal components of the density operator is derived. Under the assumption that nuclear states are much more short ranged compared to electronic states and assuming no singularity, a semi-adiabatic approximation is invoked, which results in expressions for the nonadiabatic molecular Hamiltonian and the quantum Liouville equation that are much more amenable to advanced quantum dynamics calculation. The semi-adiabatic approximation is also applied to a resonance energy transfer system consisting of a donor and an acceptor interacting via Coulomb terms, and explicit detailed expressions for exciton-bath Hamiltonian including all the non-adiabatic terms are derived.
The density temperature and the dry and wet virtual adiabats
NASA Technical Reports Server (NTRS)
Bartlo, J.; Betts, Alan K.
1991-01-01
A density temperature is introduced to represent virtual temperature and potential temperature on thermodynamic diagrams. This study reviews how the dry and wet virtual adiabats can be used to represent stability and air parcel density for unsaturated and cloudy air, and present formula and tabulations.
Adiabatic single scan two-dimensional NMR spectrocopy.
Pelupessy, Philippe
2003-10-01
New excitation schemes, based on the use adiabatic pulses, for single scan two-dimensional NMR experiments (Frydman et al., Proc. Nat. Acad. Sci. 2002, 99, 15 858-15 862) are introduced. The advantages are discussed. Applications in homo- and heteronuclear experiments are presented. PMID:14519020
SIMULATION OF CONTINUOUS-CONTACT SEPARATION PROCESSES: MULTICOMPONENT, ADIABATIC ABSORPTION
A new algorithm has been developed for the steady-state simulation of multicomponent, adiabatic absorption in packed columns. The system of differential model equations that describe the physical absorption process is reduced to algebraic equations by using a finite difference me...
Equations for Adiabatic but Rotational Steady Gas Flows without Friction
NASA Technical Reports Server (NTRS)
Schaefer, Manfred
1947-01-01
This paper makes the following assumptions: 1) The flowing gases are assumed to have uniform energy distribution. ("Isoenergetic gas flows," that is valid with the same constants for the the energy equation entire flow.) This is correct, for example, for gas flows issuing from a region of constant pressure, density, temperature, end velocity. This property is not destroyed by compression shocks because of the universal validity of the energy law. 2) The gas behaves adiabatically, not during the compression shock itself but both before and after the shock. However, the adiabatic equation (p/rho(sup kappa) = C) is not valid for the entire gas flow with the same constant C but rather with an appropriate individual constant for each portion of the gas. For steady flows, this means that the constant C of the adiabatic equation is a function of the stream function. Consequently, a gas that has been flowing "isentropically",that is, with the same constant C of the adiabatic equation throughout (for example, in origination from a region of constant density, temperature, and velocity) no longer remains isentropic after a compression shock if the compression shock is not extremely simple (wedge shaped in a two-dimensional flow or cone shaped in a rotationally symmetrical flow). The solution of nonisentropic flows is therefore an urgent necessity.
Non-adiabatic response of relativistic radiation belt electrons to GEM magnetic storms
NASA Astrophysics Data System (ADS)
McAdams, K. L.; Reeves, G. D.
The importance of fully adiabatic effects in the relativistic radiation belt electron response to magnetic storms is poorly characterized due to many difficulties in calculating adiabatic flux response. Using the adiabatic flux model of Kim and Chan [1997a] and Los Alamos National Laboratory geosynchronous satellite data, we examine the relative timing of the adiabatic and non-adiabatic flux responses. In the three storms identified by the GEM community for in depth study, the non-adiabatic energization occurs hours earlier than the adiabatic re-energization. The adiabatic energization can account for only 10-20% of the flux increases in the first recovery stages, and only 1% of the flux increase if there is continuing activity.
Adiabatic formation of high-Q modes by suppression of chaotic diffusion in deformed microdiscs
NASA Astrophysics Data System (ADS)
Shim, Jeong-Bo; Eberspächer, Alexander; Wiersig, Jan
2013-11-01
Resonant modes with high-Q factors in a two-dimensional deformed microdisc cavity are analyzed by using a dynamical and semiclassical approach. The analysis focuses particularly on the ultra-small cavity regime, where the scale of a resonant free-space wavelength is comparable with that of the microdisc size. Although the deformed microcavity has strongly chaotic internal ray dynamics, modes with high-Q factors in this regime show unexpectedly regular distributions in configuration space and adiabatic features in phase space. By tracing the evolution process of such high-Q modes through the deformation from a circular cavity, it is uncovered that the high-Q modes are formed adiabatically on cantori. Due to the openness of microcavities, such adiabatic formation of high-Q modes around cantori is enabled, in spite of strong chaos in ray dynamics. Since the cantori are in close contact with short periodic orbits, their influence on the modes, such as localization patterns in phase space, can be also clarified. In order to quantitatively analyze the spectral range where high-Q modes appear, the phase space section of the deformed microcavity is partitioned by partial barriers of short periodic orbits, and the semiclassical quantization scheme is applied to the partitioned areas and their action fluxes. The derived spectral ranges for the high-Q modes show a good agreement with a numerically observed spectrum. In the course of semiclassical quantization, it is shown that the chaotic diffusion in the system that we investigate can be resolved by the scale of a quarter effective Planck's constant, and the topological structure of the manifolds in phase space allows for this resolution higher than a Planck constant scale. By analyzing flux Farey trees, the role of short periodic orbits in chaotic diffusion and their connection to cantori are verified.
Liu, Jin; Adamska, Lyudmyla; Doorn, Stephen K.; Tretiak, Sergei
2015-05-14
Conformational structure and the electronic properties of various electronic excitations in cycloparaphenylenes (CPPs) are calculated using hybrid Density Functional Theory (DFT). The results demonstrate that wavefunctions of singlet and triplet excitons as well as the positive and negative polarons remain fully delocalized in CPPs. In contrast, these excitations in larger CPP molecules become localized on several phenyl rings, which are locally planarized, while the undeformed ground state geometry is preserved on the rest of the hoop. As evidenced by the measurements of bond-length alternation and dihedral angles, localized regions show stronger hybridization between neighboring bonds and thus enhanced electronic communication. This effect is even more significant in the smaller hoops, where phenyl rings have strong quinoid character in the ground state. Thus, upon excitation, electron–phonon coupling leads to the self-trapping of the electronic wavefunction and release of energy from fractions of an eV up to two eVs, depending on the type of excitation and the size of the hoop. The impact of such localization on electronic and optical properties of CPPs is systematically investigated and compared with the available experimental measurements.
Polaronic metal state at the LaAlO3/SrTiO3 interface
NASA Astrophysics Data System (ADS)
Cancellieri, C.; Mishchenko, A. S.; Aschauer, U.; Filippetti, A.; Faber, C.; Barišić, O. S.; Rogalev, V. A.; Schmitt, T.; Nagaosa, N.; Strocov, V. N.
2016-01-01
Interplay of spin, charge, orbital and lattice degrees of freedom in oxide heterostructures results in a plethora of fascinating properties, which can be exploited in new generations of electronic devices with enhanced functionalities. The paradigm example is the interface between the two band insulators LaAlO3 and SrTiO3 that hosts a two-dimensional electron system. Apart from the mobile charge carriers, this system exhibits a range of intriguing properties such as field effect, superconductivity and ferromagnetism, whose fundamental origins are still debated. Here we use soft-X-ray angle-resolved photoelectron spectroscopy to penetrate through the LaAlO3 overlayer and access charge carriers at the buried interface. The experimental spectral function directly identifies the interface charge carriers as large polarons, emerging from coupling of charge and lattice degrees of freedom, and involving two phonons of different energy and thermal activity. This phenomenon fundamentally limits the carrier mobility and explains its puzzling drop at high temperatures.
Li, Haifeng; Xiao, Yinguo; Schmitz, Berthold; Persson, Jörg; Schmidt, Wolfgang; Meuffels, Paul; Roth, Georg; Brückel, Thomas
2012-01-01
Magnetoresistance (MR) has attracted tremendous attention for possible technological applications. Understanding the role of magnetism in manipulating MR may in turn steer the searching for new applicable MR materials. Here we show that antiferromagnetic (AFM) GdSi metal displays an anisotropic positive MR value (PMRV), up to ~415%, accompanied by a large negative thermal volume expansion (NTVE). Around TN the PMRV translates to negative, down to ~−10.5%. Their theory-breaking magnetic-field dependencies [PMRV: dominantly linear; negative MR value (NMRV): quadratic] and the unusual NTVE indicate that PMRV is induced by the formation of magnetic polarons in 5d bands, whereas NMRV is possibly due to abated electron-spin scattering resulting from magnetic-field-aligned local 4f spins. Our results may open up a new avenue of searching for giant MR materials by suppressing the AFM transition temperature, opposite the case in manganites, and provide a promising approach to novel magnetic and electric devices. PMID:23087815
NASA Astrophysics Data System (ADS)
Wang, Ya-Dong; Meng, Yan; Di, Bing; Wang, Shu-Ling; An, Zhong
2010-12-01
According to the one-dimensional tight-binding Su—Schrieffer—Heeger model, we have investigated the effects of charged polarons on the static polarizability, αxx, and the second order hyperpolarizabilities, γxxxx, of conjugated polymers. Our results are consistent qualitatively with previous ab initio and semi-empirical calculations. The origin of the universal growth is discussed using a local-view formalism that is based on the local atomic charge derivatives. Furthermore, combining the Su-Schrieffer-Heeger model and the extended Hubbard model, we have investigated systematically the effects of electron-electron interactions on αxx and γxxxx of charged polymer chains. For a fixed value of the nearest-neighbour interaction V, the values of αxx and γxxxx increase as the on-site Coulomb interaction U increases for U < Uc and decrease with U for U > Uc, where Uc is a critical value of U at which the static polarizability or the second order hyperpolarizability reaches a maximal value of αmax or γmax. It is found that the effect of the e-e interaction on the value of αxx is dependent on the ratio between U and V for either a short or a long charged polymer. Whereas, that effect on the value of γxxxx is sensitive both to the ratio of U to V and to the size of the molecule.
Polaronic metal state at the LaAlO3/SrTiO3 interface.
Cancellieri, C; Mishchenko, A S; Aschauer, U; Filippetti, A; Faber, C; Barišić, O S; Rogalev, V A; Schmitt, T; Nagaosa, N; Strocov, V N
2016-01-01
Interplay of spin, charge, orbital and lattice degrees of freedom in oxide heterostructures results in a plethora of fascinating properties, which can be exploited in new generations of electronic devices with enhanced functionalities. The paradigm example is the interface between the two band insulators LaAlO3 and SrTiO3 that hosts a two-dimensional electron system. Apart from the mobile charge carriers, this system exhibits a range of intriguing properties such as field effect, superconductivity and ferromagnetism, whose fundamental origins are still debated. Here we use soft-X-ray angle-resolved photoelectron spectroscopy to penetrate through the LaAlO3 overlayer and access charge carriers at the buried interface. The experimental spectral function directly identifies the interface charge carriers as large polarons, emerging from coupling of charge and lattice degrees of freedom, and involving two phonons of different energy and thermal activity. This phenomenon fundamentally limits the carrier mobility and explains its puzzling drop at high temperatures. PMID:26813124
Polaron effects on the performance of light-harvesting systems: a quantum heat engine perspective
NASA Astrophysics Data System (ADS)
Xu, Dazhi; Wang, Chen; Zhao, Yang; Cao, Jianshu
2016-02-01
We explore energy transfer in a generic three-level system, which is coupled to three non-equilibrium baths. Built on the concept of quantum heat engine, our three-level model describes non-equilibrium quantum processes including light-harvesting energy transfer, nano-scale heat transfer, photo-induced isomerization, and photovoltaics in double quantum-dots. In the context of light-harvesting, the excitation energy is first pumped up by sunlight, then is transferred via two excited states which are coupled to a phonon bath, and finally decays to the reaction center. The efficiency of this process is evaluated by steady state analysis via a polaron-transformed master equation; thus the entire range of the system-phonon coupling strength can be covered. We show that the coupling with the phonon bath not only modifies the steady state, resulting in population inversion, but also introduces a finite steady state coherence which optimizes the energy transfer flux and efficiency. In the strong coupling limit, the steady state coherence disappears and the efficiency recovers the heat engine limit given by Scovil and Schultz-Dubois (1959 Phys. Rev. Lett. 2 262).
Polaronic metal state at the LaAlO3/SrTiO3 interface
Cancellieri, C.; Mishchenko, A. S.; Aschauer, U.; Filippetti, A.; Faber, C.; Barišić, O. S.; Rogalev, V. A.; Schmitt, T.; Nagaosa, N.; Strocov, V. N.
2016-01-01
Interplay of spin, charge, orbital and lattice degrees of freedom in oxide heterostructures results in a plethora of fascinating properties, which can be exploited in new generations of electronic devices with enhanced functionalities. The paradigm example is the interface between the two band insulators LaAlO3 and SrTiO3 that hosts a two-dimensional electron system. Apart from the mobile charge carriers, this system exhibits a range of intriguing properties such as field effect, superconductivity and ferromagnetism, whose fundamental origins are still debated. Here we use soft-X-ray angle-resolved photoelectron spectroscopy to penetrate through the LaAlO3 overlayer and access charge carriers at the buried interface. The experimental spectral function directly identifies the interface charge carriers as large polarons, emerging from coupling of charge and lattice degrees of freedom, and involving two phonons of different energy and thermal activity. This phenomenon fundamentally limits the carrier mobility and explains its puzzling drop at high temperatures. PMID:26813124
Liu, Jin; Adamska, Lyudmyla; Doorn, Stephen K.; Tretiak, Sergei
2015-05-14
Conformational structure and the electronic properties of various electronic excitations in cycloparaphenylenes (CPPs) are calculated using hybrid Density Functional Theory (DFT). The results demonstrate that wavefunctions of singlet and triplet excitons as well as the positive and negative polarons remain fully delocalized in CPPs. In contrast, these excitations in larger CPP molecules become localized on several phenyl rings, which are locally planarized, while the undeformed ground state geometry is preserved on the rest of the hoop. As evidenced by the measurements of bond-length alternation and dihedral angles, localized regions show stronger hybridization between neighboring bonds and thus enhanced electronic communication.more » This effect is even more significant in the smaller hoops, where phenyl rings have strong quinoid character in the ground state. Thus, upon excitation, electron–phonon coupling leads to the self-trapping of the electronic wavefunction and release of energy from fractions of an eV up to two eVs, depending on the type of excitation and the size of the hoop. The impact of such localization on electronic and optical properties of CPPs is systematically investigated and compared with the available experimental measurements.« less
Li, Haifeng; Xiao, Yinguo; Schmitz, Berthold; Persson, Jörg; Schmidt, Wolfgang; Meuffels, Paul; Roth, Georg; Brückel, Thomas
2012-01-01
Magnetoresistance (MR) has attracted tremendous attention for possible technological applications. Understanding the role of magnetism in manipulating MR may in turn steer the searching for new applicable MR materials. Here we show that antiferromagnetic (AFM) GdSi metal displays an anisotropic positive MR value (PMRV), up to ~415%, accompanied by a large negative thermal volume expansion (NTVE). Around T(N) the PMRV translates to negative, down to ~-10.5%. Their theory-breaking magnetic-field dependencies [PMRV: dominantly linear; negative MR value (NMRV): quadratic] and the unusual NTVE indicate that PMRV is induced by the formation of magnetic polarons in 5d bands, whereas NMRV is possibly due to abated electron-spin scattering resulting from magnetic-field-aligned local 4f spins. Our results may open up a new avenue of searching for giant MR materials by suppressing the AFM transition temperature, opposite the case in manganites, and provide a promising approach to novel magnetic and electric devices. PMID:23087815
Non-adiabatic resonant conversion of solar neutrinos in three generations
NASA Astrophysics Data System (ADS)
Kim, C. W.; Nussinov, S.; Sze, W. K.
1987-02-01
The survival probability of solar electron neutrinos after non-adiabatic passage through the resonance-oscillation region in the Sun is discussed for the case of three generations. A method to calculate three-generation Landau-Zener transition probabilities between adiabatic states is described. We also discuss how the Landua-Zener probability is modified in the extreme non-adiabatic case.
Observation of a two-dimensional liquid of Fröhlich polarons at the bare SrTiO3 surface.
Chen, Chaoyu; Avila, José; Frantzeskakis, Emmanouil; Levy, Anna; Asensio, Maria C
2015-01-01
The polaron is a quasi-particle formed by a conduction electron (or hole) together with its self-induced polarization in a polar semiconductor or an ionic crystal. Among various polarizable examples of complex oxides, strontium titanate (SrTiO3) is one of the most studied. Here we examine the carrier type and the interplay of inner degrees of freedom (for example, charge, lattice, orbital) in SrTiO3. We report the experimental observation of Fröhlich polarons, or large polarons, at the bare SrTiO3 surface prepared by vacuum annealing. Systematic analyses of angle-resolved photoemission spectroscopy and X-ray absorption spectra show that these Fröhlich polarons are two-dimensional and only exist with inversion symmetry breaking by two-dimensional oxygen vacancies. Our discovery provides a rare solvable field theoretical model, and suggests the relevance of large (bi)polarons for superconductivity in perovskite oxides, as well as in high-temperature superconductors. PMID:26489376
Observation of a two-dimensional liquid of Fröhlich polarons at the bare SrTiO3 surface
NASA Astrophysics Data System (ADS)
Chen, Chaoyu; Avila, José; Frantzeskakis, Emmanouil; Levy, Anna; Asensio, Maria C.
2015-10-01
The polaron is a quasi-particle formed by a conduction electron (or hole) together with its self-induced polarization in a polar semiconductor or an ionic crystal. Among various polarizable examples of complex oxides, strontium titanate (SrTiO3) is one of the most studied. Here we examine the carrier type and the interplay of inner degrees of freedom (for example, charge, lattice, orbital) in SrTiO3. We report the experimental observation of Fröhlich polarons, or large polarons, at the bare SrTiO3 surface prepared by vacuum annealing. Systematic analyses of angle-resolved photoemission spectroscopy and X-ray absorption spectra show that these Fröhlich polarons are two-dimensional and only exist with inversion symmetry breaking by two-dimensional oxygen vacancies. Our discovery provides a rare solvable field theoretical model, and suggests the relevance of large (bi)polarons for superconductivity in perovskite oxides, as well as in high-temperature superconductors.
Observation of a two-dimensional liquid of Fröhlich polarons at the bare SrTiO3 surface
Chen, Chaoyu; Avila, José; Frantzeskakis, Emmanouil; Levy, Anna; Asensio, Maria C.
2015-01-01
The polaron is a quasi-particle formed by a conduction electron (or hole) together with its self-induced polarization in a polar semiconductor or an ionic crystal. Among various polarizable examples of complex oxides, strontium titanate (SrTiO3) is one of the most studied. Here we examine the carrier type and the interplay of inner degrees of freedom (for example, charge, lattice, orbital) in SrTiO3. We report the experimental observation of Fröhlich polarons, or large polarons, at the bare SrTiO3 surface prepared by vacuum annealing. Systematic analyses of angle-resolved photoemission spectroscopy and X-ray absorption spectra show that these Fröhlich polarons are two-dimensional and only exist with inversion symmetry breaking by two-dimensional oxygen vacancies. Our discovery provides a rare solvable field theoretical model, and suggests the relevance of large (bi)polarons for superconductivity in perovskite oxides, as well as in high-temperature superconductors. PMID:26489376
New empirical correlations for sizing adiabatic capillary tubes in refrigeration systems
NASA Astrophysics Data System (ADS)
Shodiya, S.; Aahar, A. A.; Henry, N.; Darus, A. N.
2012-06-01
This paper presents new empirical correlations that have been developed for sizing adiabatic capillary tubes used in small vapor compression refrigeration and air-conditioning systems. A numerical model which is based on the basic equations of conservation of mass, momentum and energy was developed. Colebrook's formulation was used to determine the single phase friction factor. The two-phase viscosity models - Cicchitti et al., Dukler et al. and McAdam et al. were used based on the recommendation from literature to determine the two-phase viscosity factor. The developed numerical model was validated using the experimental data from literature. The numerical model was used to study the effects of relevant parameters on capillary tube length and the results showed that the length of capillary tube increase with increase in condensing temperature, subcooling, and inner diameter of tube but decrease with increase in surface roughness and mass flow rate. Thereafter, empirical correlation of the capillary tube length with the five dependent variables was presented. The empirical models are validated using experimental data from literature. Different from the previous studies, the empirical models have a large set of refrigerants and wide operating conditions. The developed correlation can be used as an effective tool for sizing adiabatic capillary tube with system models working with alternative refrigerants.
Karpeshin, F. F.; Trzhaskovskaya, M. B.
2015-12-15
Special features of the effect of the electron shell on alpha decay that have important experimental implications are studied within the adiabatic approach. The magnitude of the effect is about several tenths of a percent or smaller, depending on the transition energy and on the atomic number. A dominant role of inner shells is shown: more than 80% of the effect is saturated by 1s electrons. This circumstance plays a crucial role for experiments, making it possible to measure this small effect by a difference method in the same storage rings via a comparison of, for example, decay probabilities in bare nuclei and heliumlike ions. The reasons behind the relative success and the applicability limits of the frozen-shell model, which has been used to calculate the effect in question for more than half a century, are analyzed. An interesting experiment aimed at studying charged alpha-particle states is proposed. This experiment will furnish unique information for testing our ideas of the interplay of nonadiabatic and adiabatic processes.
The effect of laser pulse shape variations on the adiabat of NIF capsule implosions
NASA Astrophysics Data System (ADS)
Robey, H. F.; MacGowan, B. J.; Landen, O. L.; LaFortune, K. N.; Widmayer, C.; Celliers, P. M.; Moody, J. D.; Ross, J. S.; Ralph, J.; LePape, S.; Berzak Hopkins, L. F.; Spears, B. K.; Haan, S. W.; Clark, D.; Lindl, J. D.; Edwards, M. J.
2013-05-01
Indirectly driven capsule implosions on the National Ignition Facility (NIF) [Moses et al., Phys. Plasmas 16, 041006 (2009)] are being performed with the goal of compressing a layer of cryogenic deuterium-tritium (DT) fuel to a sufficiently high areal density (ρR) to sustain the self-propagating burn wave that is required for fusion power gain greater than unity. These implosions are driven with a temporally shaped laser pulse that is carefully tailored to keep the DT fuel on a low adiabat (ratio of fuel pressure to the Fermi degenerate pressure). In this report, the impact of variations in the laser pulse shape (both intentionally and unintentionally imposed) on the in-flight implosion adiabat is examined by comparing the measured shot-to-shot variations in ρR from a large ensemble of DT-layered ignition target implosions on NIF spanning a two-year period. A strong sensitivity to variations in the early-time, low-power foot of the laser pulse is observed. It is shown that very small deviations (˜0.1% of the total pulse energy) in the first 2 ns of the laser pulse can decrease the measured ρR by 50%.
The effect of laser pulse shape variations on the adiabat of NIF capsule implosions
Robey, H. F.; MacGowan, B. J.; Landen, O. L.; LaFortune, K. N.; Widmayer, C.; Celliers, P. M.; Moody, J. D.; Ross, J. S.; Ralph, J.; LePape, S.; Berzak Hopkins, L. F.; Spears, B. K.; Haan, S. W.; Clark, D.; Lindl, J. D.; Edwards, M. J.
2013-05-15
Indirectly driven capsule implosions on the National Ignition Facility (NIF) [Moses et al., Phys. Plasmas 16, 041006 (2009)] are being performed with the goal of compressing a layer of cryogenic deuterium-tritium (DT) fuel to a sufficiently high areal density (ρR) to sustain the self-propagating burn wave that is required for fusion power gain greater than unity. These implosions are driven with a temporally shaped laser pulse that is carefully tailored to keep the DT fuel on a low adiabat (ratio of fuel pressure to the Fermi degenerate pressure). In this report, the impact of variations in the laser pulse shape (both intentionally and unintentionally imposed) on the in-flight implosion adiabat is examined by comparing the measured shot-to-shot variations in ρR from a large ensemble of DT-layered ignition target implosions on NIF spanning a two-year period. A strong sensitivity to variations in the early-time, low-power foot of the laser pulse is observed. It is shown that very small deviations (∼0.1% of the total pulse energy) in the first 2 ns of the laser pulse can decrease the measured ρR by 50%.
Kaminsky, S. M.; Richards, F. M.
1992-01-01
The partial specific volume and adiabatic compressibility were determined at several temperatures for oxidized and reduced Escherichia coli thioredoxin. Oxidized thioredoxin had a partial specific volume of 0.785-0.809 mL/g at the observed upper limit for all proteins whereas the partial specific volume of reduced thioredoxin was 0.745-0.755 mL/g, a value in the range found for a majority of proteins. The adiabatic compressibility of oxidized thioredoxin was also much larger (9.8-18 x 10(-12) cm2 dyne-1) than that of the reduced protein (3.8-7.3 x 10(-12)). Apart from the region immediately around the small disulfide loop, the structures of the oxidized (X-ray, crystal) and reduced protein (nuclear magnetic resonance, solution) are reported to be very similar. It would appear that alterations in the solvent layer in contact with the protein surface must play a major role in producing these large changes in the apparent specific volumes and compressibilities in this system. Some activities of thioredoxin require the reduced structure but are not electron transfer reactions. The large changes in physical parameters reported here suggest the possibility of a reversible metabolic control function for the SS bond. PMID:1304879
Necessary and sufficient condition for quantum adiabatic evolution by unitary control fields
NASA Astrophysics Data System (ADS)
Wang, Zhen-Yu; Plenio, Martin B.
2016-05-01
We decompose the quantum adiabatic evolution as the products of gauge invariant unitary operators and obtain the exact nonadiabatic correction in the adiabatic approximation. A necessary and sufficient condition that leads to adiabatic evolution with geometric phases is provided, and we determine that in the adiabatic evolution, while the eigenstates are slowly varying, the eigenenergies and degeneracy of the Hamiltonian can change rapidly. We exemplify this result by the example of the adiabatic evolution driven by parametrized pulse sequences. For driving fields that are rotating slowly with the same average energy and evolution path, fast modulation fields can have smaller nonadiabatic errors than obtained under the traditional approach with a constant amplitude.
Experimental implementation of adiabatic passage between different topological orders.
Peng, Xinhua; Luo, Zhihuang; Zheng, Wenqiang; Kou, Supeng; Suter, Dieter; Du, Jiangfeng
2014-08-22
Topological orders are exotic phases of matter existing in strongly correlated quantum systems, which are beyond the usual symmetry description and cannot be distinguished by local order parameters. Here we report an experimental quantum simulation of the Wen-plaquette spin model with different topological orders in a nuclear magnetic resonance system, and observe the adiabatic transition between two Z(2) topological orders through a spin-polarized phase by measuring the nonlocal closed-string (Wilson loop) operator. Moreover, we also measure the entanglement properties of the topological orders. This work confirms the adiabatic method for preparing topologically ordered states and provides an experimental tool for further studies of complex quantum systems. PMID:25192080
Adiabatic and diabatic process of sum frequency conversion.
Liqing, Ren; Yongfang, Li; Baihong, Li; Lei, Wang; Zhaohua, Wang
2010-09-13
Based on the dressed state formalism, we obtain the adiabatic criterion of the sum frequency conversion. We show that this constraint restricts the energy conversion between the two dressed fields, which are superpositions of the signal field and the sum frequency field. We also show that the evolution of the populations of the dressed fields, which in turn describes the conversion of light photons from the seed frequency to the sum frequency during propagation through the nonlinear crystal. Take the quasiphased matched (QPM) scheme as an example, we calculate the expected bandwidth of the frequency conversion process, and its dependence on the length of the crystal. We demonstrate that the evolutionary patterns of the sum frequency field's energy are similar to the Fresnel diffraction of a light field. We finally show that the expected bandwidth can be also deduced from the evolution of the adiabaticity of the dressed fileds. PMID:20940935
On the off-stoichiometric peaking of adiabatic flame temperature
Law, C.K.; Lu, T.F.; Makino, A.
2006-06-15
The characteristic rich shifting of the maximum adiabatic flame temperature from the stoichiometric value for mixtures of hydrocarbon and air is demonstrated to be caused by product dissociation and hence reduced amount of heat release. Since the extent of dissociation is greater on the lean side as a result of the stoichiometry of dissociated products, the peaking occurs on the rich side. The specific heat per unit mass of the mixture is shown to increase monotonically with increasing fuel concentration, and as such tends to shift the peak toward the lean side. It is further shown that this is the cause for the lean shifting of the adiabatic flame temperature of oxidizer-enriched mixtures of N{sub m}H{sub n} and F{sub 2} and of NH{sub 3} and O{sub 2}, with various amounts of inert dilution, even though their maximum heat release still peaks on the rich side. (author)
Microscopic expression for heat in the adiabatic basis.
Polkovnikov, Anatoli
2008-11-28
We derive a microscopic expression for the instantaneous diagonal elements of the density matrix rho(nn)(t) in the adiabatic basis for an arbitrary time-dependent process in a closed Hamiltonian system. If the initial density matrix is stationary (diagonal) then this expression contains only squares of absolute values of matrix elements of the evolution operator, which can be interpreted as transition probabilities. We then derive the microscopic expression for the heat defined as the energy generated due to transitions between instantaneous energy levels. If the initial density matrix is passive [diagonal with rho(nn)(0) monotonically decreasing with energy] then the heat is non-negative in agreement with basic expectations of thermodynamics. Our findings also can be used for systematic expansion of various observables around the adiabatic limit. PMID:19113464
Non-adiabatic dynamics of molecules in optical cavities
NASA Astrophysics Data System (ADS)
Kowalewski, Markus; Bennett, Kochise; Mukamel, Shaul
2016-02-01
Strong coupling of molecules to the vacuum field of micro cavities can modify the potential energy surfaces thereby opening new photophysical and photochemical reaction pathways. While the influence of laser fields is usually described in terms of classical field, coupling to the vacuum state of a cavity has to be described in terms of dressed photon-matter states (polaritons) which require quantized fields. We present a derivation of the non-adiabatic couplings for single molecules in the strong coupling regime suitable for the calculation of the dressed state dynamics. The formalism allows to use quantities readily accessible from quantum chemistry codes like the adiabatic potential energy surfaces and dipole moments to carry out wave packet simulations in the dressed basis. The implications for photochemistry are demonstrated for a set of model systems representing typical situations found in molecules.
Fastest Effectively Adiabatic Transitions for a Collection of Harmonic Oscillators.
Boldt, Frank; Salamon, Peter; Hoffmann, Karl Heinz
2016-05-19
We discuss fastest effectively adiabatic transitions (FEATs) for a collection of noninteracting harmonic oscillators with shared controllable real frequencies. The construction of such transitions is presented for given initial and final equilibrium states, and the dependence of the minimum time control on the interval of achievable frequencies is discussed. While the FEAT times and associated FEAT processes are important in their own right as optimal controls, the FEAT time is an added feature which provides a measure of the quality of a shortcut to adiabaticity (STA). The FEAT time is evaluated for a previously reported experiment, wherein a cloud of Rb atoms is cooled following a STA recipe that took about twice as long as the FEAT speed limit, a time efficiency of 50%. PMID:26811863
Ultrafast adiabatic manipulation of slow light in a photonic crystal
Kampfrath, T.; Kuipers, L.; Beggs, D. M.; White, T. P.; Krauss, T. F.; Melloni, A.
2010-04-15
We demonstrate by experiment and theory that a light pulse propagating through a Si-based photonic-crystal waveguide is adiabatically blueshifted when the refractive index of the Si is reduced on a femtosecond time scale. Thanks to the use of slow-light modes, we are able to shift a 1.3-ps pulse at telecom frequencies by 0.3 THz with an efficiency as high as 80% in a waveguide as short as 19{mu}m. An analytic theory reproduces the experimental data excellently, which shows that adiabatic dynamics are possible even on the femtosecond time scale as long as the external stimulus conserves the spatial symmetry of the system.
Adiabatic tapered optical fiber fabrication in two step etching
NASA Astrophysics Data System (ADS)
Chenari, Z.; Latifi, H.; Ghamari, S.; Hashemi, R. S.; Doroodmand, F.
2016-01-01
A two-step etching method using HF acid and Buffered HF is proposed to fabricate adiabatic biconical optical fiber tapers. Due to the fact that the etching rate in second step is almost 3 times slower than the previous droplet etching method, terminating the fabrication process is controllable enough to achieve a desirable fiber diameter. By monitoring transmitted spectrum, final diameter and adiabaticity of tapers are deduced. Tapers with losses about 0.3 dB in air and 4.2 dB in water are produced. The biconical fiber taper fabricated using this method is used to excite whispering gallery modes (WGMs) on a microsphere surface in an aquatic environment. So that they are suitable to be used in applications like WGM biosensors.
Fluctuations of work in nearly adiabatically driven open quantum systems.
Suomela, S; Salmilehto, J; Savenko, I G; Ala-Nissila, T; Möttönen, M
2015-02-01
We extend the quantum jump method to nearly adiabatically driven open quantum systems in a way that allows for an accurate account of the external driving in the system-environment interaction. Using this framework, we construct the corresponding trajectory-dependent work performed on the system and derive the integral fluctuation theorem and the Jarzynski equality for nearly adiabatic driving. We show that such identities hold as long as the stochastic dynamics and work variable are consistently defined. We numerically study the emerging work statistics for a two-level quantum system and find that the conventional diabatic approximation is unable to capture some prominent features arising from driving, such as the continuity of the probability density of work. Our results reveal the necessity of using accurate expressions for the drive-dressed heat exchange in future experiments probing jump time distributions. PMID:25768477
The adiabatic motion of charged dust grains in rotating magnetospheres
NASA Astrophysics Data System (ADS)
Northrop, T. G.; Hill, J. R.
1983-01-01
Adiabatic equations of motion are derived for the micrometer-sized dust grains detected in the Jovian and Saturn magnetospheres by the Pioneer 10 and 11 spacecraft. The adiabatic theory of charged particle motion is extended to the case of variable grain charge. Attention is focused on the innermost and outermost limits to the grain orbit evolution, with all orbits tending to become circular with time. The parameters such as the center equation of motion, the drift velocity, and the parallel equation of motion are obtained for grains in a rotating magnetosphere. Consideration is given to the effects of periodic grain charge-discharge, which are affected by the ambient plasma properties and the grain plasma velocity. The charge-discharge process at the gyrofrequency is determined to eliminate the invariance of the magnetic moment and cause the grain to exhibit radial movement. The magnetic moment increases or decreases as a function of the gyrophase of the charge variation.
Adiabatic Berry phase in an atom-molecule conversion system
Fu Libin; Liu Jie
2010-11-15
We investigate the Berry phase of adiabatic quantum evolution in the atom-molecule conversion system that is governed by a nonlinear Schroedinger equation. We find that the Berry phase consists of two parts: the usual Berry connection term and a novel term from the nonlinearity brought forth by the atom-molecule coupling. The total geometric phase can be still viewed as the flux of the magnetic field of a monopole through the surface enclosed by a closed path in parameter space. The charge of the monopole, however, is found to be one third of the elementary charge of the usual quantized monopole. We also derive the classical Hannay angle of a geometric nature associated with the adiabatic evolution. It exactly equals minus Berry phase, indicating a novel connection between Berry phase and Hannay angle in contrast to the usual derivative form.
Adiabatic creation of atomic squeezing in dark states versus decoherences
Gong, Z. R.; Sun, C. P.; Wang Xiaoguang
2010-07-15
We study the multipartite correlations of the multiatom dark states, which are characterized by the atomic squeezing beyond the pairwise entanglement. It is shown that, in the photon storage process with atomic ensemble via the electromagnetically induced transparency (EIT) mechanism, the atomic squeezing and the pairwise entanglement can be created by adiabatically manipulating the Rabi frequency of the classical light field on the atomic ensemble. We also consider the sudden death for the atomic squeezing and the pairwise entanglement under various decoherence channels. An optimal time for generating the greatest atomic squeezing and pairwise entanglement is obtained by studying in detail the competition between the adiabatic creation of quantum correlation in the atomic ensemble and the decoherence that we describe with three typical decoherence channels.
Steam bottoming cycle for an adiabatic diesel engine
NASA Technical Reports Server (NTRS)
Poulin, E.; Demier, R.; Krepchin, I.; Walker, D.
1984-01-01
Steam bottoming cycles using adiabatic diesel engine exhaust heat which projected substantial performance and economic benefits for long haul trucks were studied. Steam cycle and system component variables, system cost, size and performance were analyzed. An 811 K/6.90 MPa state of the art reciprocating expander steam system with a monotube boiler and radiator core condenser was selected for preliminary design. The costs of the diesel with bottoming system (TC/B) and a NASA specified turbocompound adiabatic diesel with aftercooling with the same total output were compared, the annual fuel savings less the added maintenance cost was determined to cover the increase initial cost of the TC/B system in a payback period of 2.3 years. Steam bottoming system freeze protection strategies were developed, technological advances required for improved system reliability are considered and the cost and performance of advanced systes are evaluated.
Engineering adiabaticity at an avoided crossing with optimal control
NASA Astrophysics Data System (ADS)
Chasseur, T.; Theis, L. S.; Sanders, Y. R.; Egger, D. J.; Wilhelm, F. K.
2015-04-01
We investigate ways to optimize adiabaticity and diabaticity in the Landau-Zener model with nonuniform sweeps. We show how diabaticity can be engineered with a pulse consisting of a linear sweep augmented by an oscillating term. We show that the oscillation leads to jumps in populations whose value can be accurately modeled using a model of multiple, photon-assisted Landau-Zener transitions, which generalizes work by Wubs et al. [New J. Phys. 7, 218 (2005)], 10.1088/1367-2630/7/1/218. We extend the study on diabaticity using methods derived from optimal control. We also show how to preserve adiabaticity with optimal pulses at limited time, finding a nonuniform quantum speed limit.
Adiabatic Tip-Plasmon Focusing for Nano-Raman Spectroscopy
Berweger, Samuel; Atkin, Joanna M.; Olmon, Robert L.; Raschke, Markus Bernd
2010-12-16
True nanoscale optical spectroscopy requires the efficient delivery of light for a spatially nanoconfined excitation. We utilize adiabatic plasmon focusing to concentrate an optical field into the apex of a scanning probe tip of {approx}10 nm in radius. The conical tips with the ability for two-stage optical mode matching of the surface plasmon polariton (SPP) grating-coupling and the adiabatic propagating SPP conversion into a localized SPP at the tip apex represent a special optical antenna concept for far-field transduction into nanoscale excitation. The resulting high nanofocusing efficiency and the spatial separation of the plasmonic grating coupling element on the tip shaft from the near-field apex probe region allows for true background-free nanospectroscopy. As an application, we demonstrate tip-enhanced Raman spectroscopy (TERS) of surface molecules with enhanced contrast and its extension into the near-IR with 800 nm excitation.
Adiabatic far-field sub-diffraction imaging
NASA Astrophysics Data System (ADS)
Cang, Hu; Salandrino, Alessandro; Wang, Yuan; Zhang, Xiang
2015-08-01
The limited resolution of a conventional optical imaging system stems from the fact that the fine feature information of an object is carried by evanescent waves, which exponentially decays in space and thus cannot reach the imaging plane. We introduce here an adiabatic lens, which utilizes a geometrically conformal surface to mediate the interference of slowly decompressed electromagnetic waves at far field to form images. The decompression is satisfying an adiabatic condition, and by bridging the gap between far field and near field, it allows far-field optical systems to project an image of the near-field features directly. Using these designs, we demonstrated the magnification can be up to 20 times and it is possible to achieve sub-50 nm imaging resolution in visible. Our approach provides a means to extend the domain of geometrical optics to a deep sub-wavelength scale.
Adiabatic nonlinear waves with trapped particles. II. Wave dispersion
Dodin, I. Y.; Fisch, N. J.
2012-01-15
A general nonlinear dispersion relation is derived in a nondifferential form for an adiabatic sinusoidal Langmuir wave in collisionless plasma, allowing for an arbitrary distribution of trapped electrons. The linear dielectric function is generalized, and the nonlinear kinetic frequency shift {omega}{sub NL} is found analytically as a function of the wave amplitude a. Smooth distributions yield {omega}{sub NL}{proportional_to}{radical}(a), as usual. However, beam-like distributions of trapped electrons result in different power laws, or even a logarithmic nonlinearity, which are derived as asymptotic limits of the same dispersion relation. Such beams are formed whenever the phase velocity changes, because the trapped distribution is in autoresonance and thus evolves differently from the passing distribution. Hence, even adiabatic {omega}{sub NL}(a) is generally nonlocal.
Adiabatic trapping in coupled kinetic Alfven-acoustic waves
Shah, H. A.; Ali, Z.; Masood, W.
2013-03-15
In the present work, we have discussed the effects of adiabatic trapping of electrons on obliquely propagating Alfven waves in a low {beta} plasma. Using the two potential theory and employing the Sagdeev potential approach, we have investigated the existence of arbitrary amplitude coupled kinetic Alfven-acoustic solitary waves in both the sub and super Alfvenic cases. The results obtained have been analyzed and presented graphically and can be applied to regions of space where the low {beta} assumption holds true.
Adiabaticity and gravity theory independent conservation laws for cosmological perturbations
NASA Astrophysics Data System (ADS)
Romano, Antonio Enea; Mooij, Sander; Sasaki, Misao
2016-04-01
We carefully study the implications of adiabaticity for the behavior of cosmological perturbations. There are essentially three similar but different definitions of non-adiabaticity: one is appropriate for a thermodynamic fluid δPnad, another is for a general matter field δPc,nad, and the last one is valid only on superhorizon scales. The first two definitions coincide if cs2 = cw2 where cs is the propagation speed of the perturbation, while cw2 = P ˙ / ρ ˙ . Assuming the adiabaticity in the general sense, δPc,nad = 0, we derive a relation between the lapse function in the comoving slicing Ac and δPnad valid for arbitrary matter field in any theory of gravity, by using only momentum conservation. The relation implies that as long as cs ≠cw, the uniform density, comoving and the proper-time slicings coincide approximately for any gravity theory and for any matter field if δPnad = 0 approximately. In the case of general relativity this gives the equivalence between the comoving curvature perturbation Rc and the uniform density curvature perturbation ζ on superhorizon scales, and their conservation. This is realized on superhorizon scales in standard slow-roll inflation. We then consider an example in which cw =cs, where δPnad = δPc,nad = 0 exactly, but the equivalence between Rc and ζ no longer holds. Namely we consider the so-called ultra slow-roll inflation. In this case both Rc and ζ are not conserved. In particular, as for ζ, we find that it is crucial to take into account the next-to-leading order term in ζ's spatial gradient expansion to show its non-conservation, even on superhorizon scales. This is an example of the fact that adiabaticity (in the thermodynamic sense) is not always enough to ensure the conservation of Rc or ζ.
Geometric Phase for Adiabatic Evolutions of General Quantum States
Wu, Biao; Liu, Jie; Niu, Qian; Singh, David J
2005-01-01
The concept of a geometric phase (Berry's phase) is generalized to the case of noneigenstates, which is applicable to both linear and nonlinear quantum systems. This is particularly important to nonlinear quantum systems, where, due to the lack of the superposition principle, the adiabatic evolution of a general state cannot be described in terms of eigenstates. For linear quantum systems, our new geometric phase reduces to a statistical average of Berry's phases. Our results are demonstrated with a nonlinear two-level model.
Breakdown of adiabaticity when loading ultracold atoms in optical lattices
NASA Astrophysics Data System (ADS)
Zakrzewski, Jakub; Delande, Dominique
2009-07-01
Realistic simulations of current ultracold atom experiments in optical lattices show that the ramping up of the optical lattice is significantly nonadiabatic, implying that experimentally prepared Mott insulators are not really in the ground state of the atomic system. The nonadiabaticity is even larger in the presence of a secondary quasiperiodic lattice simulating “disorder.” Alternative ramping schemes are suggested that improve the adiabaticity when the disorder is not too large.
Complete Cycle Experiments Using the Adiabatic Gas Law Apparatus
NASA Astrophysics Data System (ADS)
Kutzner, Mickey D.; Plantak, Mateja
2014-10-01
The ability of our society to make informed energy-usage decisions in the future depends partly on current science and engineering students retaining a deep understanding of the thermodynamics of heat engines. Teacher imaginations and equipment budgets can both be taxed in the effort to engage students in hands-on heat engine activities. The experiments described in this paper, carried out using the Adiabatic Gas Law Apparatus1 (AGLA), quantitatively explore popular complete cycle heat engine processes.
Non-adiabatic Dynamics of Molecules in Optical Cavities
NASA Astrophysics Data System (ADS)
Kowalewski, Markus; Bennett, Kochise; Mukamel, Shaul
Molecular systems coupled to optical cavities are promising candidates for a novel kind of photo chemistry. Strong coupling to the vacuum field of the cavity can modify the potential energy surfaces opening up new reaction pathways. We present a derivation of the non-adiabatic couplings for single molecules in the strong coupling regime. The possibilities for photo chemistry are demonstrated for a set of model systems representing typical situations found in molecules. Supported by the Alexander von Humboldt Foundation.
Non-adiabatic molecular dynamics by accelerated semiclassical Monte Carlo
White, Alexander J.; Gorshkov, Vyacheslav N.; Tretiak, Sergei; Mozyrsky, Dmitry
2015-07-07
Non-adiabatic dynamics, where systems non-radiatively transition between electronic states, plays a crucial role in many photo-physical processes, such as fluorescence, phosphorescence, and photoisomerization. Methods for the simulation of non-adiabatic dynamics are typically either numerically impractical, highly complex, or based on approximations which can result in failure for even simple systems. Recently, the Semiclassical Monte Carlo (SCMC) approach was developed in an attempt to combine the accuracy of rigorous semiclassical methods with the efficiency and simplicity of widely used surface hopping methods. However, while SCMC was found to be more efficient than other semiclassical methods, it is not yet as efficientmore » as is needed to be used for large molecular systems. Here, we have developed two new methods: the accelerated-SCMC and the accelerated-SCMC with re-Gaussianization, which reduce the cost of the SCMC algorithm up to two orders of magnitude for certain systems. In many cases shown here, the new procedures are nearly as efficient as the commonly used surface hopping schemes, with little to no loss of accuracy. This implies that these modified SCMC algorithms will be of practical numerical solutions for simulating non-adiabatic dynamics in realistic molecular systems.« less
Adiabatic shear mechanisms for the hard cutting process
NASA Astrophysics Data System (ADS)
Yue, Caixu; Wang, Bo; Liu, Xianli; Feng, Huize; Cai, Chunbin
2015-05-01
The most important consequence of adiabatic shear phenomenon is formation of sawtooth chip. Lots of scholars focused on the formation mechanism of sawtooth, and the research often depended on experimental approach. For the present, the mechanism of sawtooth chip formation still remains some ambiguous aspects. This study develops a combined numerical and experimental approach to get deeper understanding of sawtooth chip formation mechanism for Polycrystalline Cubic Boron Nitride (PCBN) tools orthogonal cutting hard steel GCr15. By adopting the Johnson-Cook material constitutive equations, the FEM simulation model established in this research effectively overcomes serious element distortions and cell singularity in high strain domain caused by large material deformation, and the adiabatic shear phenomenon is simulated successfully. Both the formation mechanism and process of sawtooth are simulated. Also, the change features regarding the cutting force as well as its effects on temperature are studied. More specifically, the contact of sawtooth formation frequency with cutting force fluctuation frequency is established. The cutting force and effect of cutting temperature on mechanism of adiabatic shear are investigated. Furthermore, the effects of the cutting condition on sawtooth chip formation are researched. The researching results show that cutting feed has the most important effect on sawtooth chip formation compared with cutting depth and speed. This research contributes a better understanding of mechanism, feature of chip formation in hard turning process, and supplies theoretical basis for the optimization of hard cutting process parameters.
Dynamics of Quantum Adiabatic Evolution Algorithm for Number Partitioning
NASA Technical Reports Server (NTRS)
Smelyanskiy, V. N.; Toussaint, U. V.; Timucin, D. A.
2002-01-01
We have developed a general technique to study the dynamics of the quantum adiabatic evolution algorithm applied to random combinatorial optimization problems in the asymptotic limit of large problem size n. We use as an example the NP-complete Number Partitioning problem and map the algorithm dynamics to that of an auxiliary quantum spin glass system with the slowly varying Hamiltonian. We use a Green function method to obtain the adiabatic eigenstates and the minimum excitation gap. g min, = O(n 2(exp -n/2), corresponding to the exponential complexity of the algorithm for Number Partitioning. The key element of the analysis is the conditional energy distribution computed for the set of all spin configurations generated from a given (ancestor) configuration by simultaneous flipping of a fixed number of spins. For the problem in question this distribution is shown to depend on the ancestor spin configuration only via a certain parameter related to 'the energy of the configuration. As the result, the algorithm dynamics can be described in terms of one-dimensional quantum diffusion in the energy space. This effect provides a general limitation of a quantum adiabatic computation in random optimization problems. Analytical results are in agreement with the numerical simulation of the algorithm.
Steam bottoming cycle for an adiabatic diesel engine
Poulin, E.; Demler, R.; Krepchin, I.; Walker, D.
1984-03-01
A study of steam bottoming cycles using adiabatic diesel engine exhaust heat projected substantial performance and economic benefits for long haul trucks. A parametric analysis of steam cycle and system component variables, system cost, size and performance was conducted. An 811 K/6.90 MPa state-of-the-art reciprocating expander steam system with a monotube boiler and radiator core condenser was selected for preliminary design. When applied to a NASA specified turbo-charged adiabatic diesel the bottoming system increased the diesel output by almost 18%. In a comparison of the costs of the diesel with bottoming system (TC/B) and a NASA specified turbocompound adiabatic diesel with after-cooling with the same total output, the annual fuel savings less the added maintenance cost was determined to cover the increased initial cost of the TC/B system in a payback period of 2.3 years. Also during this program steam bottoming system freeze protection strategies were developed, technological advances required for improved system reliability were considered and the cost and performance of advanced systems were evaluated.
Non-adiabatic molecular dynamics by accelerated semiclassical Monte Carlo
White, Alexander J.; Gorshkov, Vyacheslav N.; Tretiak, Sergei; Mozyrsky, Dmitry
2015-07-07
Non-adiabatic dynamics, where systems non-radiatively transition between electronic states, plays a crucial role in many photo-physical processes, such as fluorescence, phosphorescence, and photoisomerization. Methods for the simulation of non-adiabatic dynamics are typically either numerically impractical, highly complex, or based on approximations which can result in failure for even simple systems. Recently, the Semiclassical Monte Carlo (SCMC) approach was developed in an attempt to combine the accuracy of rigorous semiclassical methods with the efficiency and simplicity of widely used surface hopping methods. However, while SCMC was found to be more efficient than other semiclassical methods, it is not yet as efficient as is needed to be used for large molecular systems. Here, we have developed two new methods: the accelerated-SCMC and the accelerated-SCMC with re-Gaussianization, which reduce the cost of the SCMC algorithm up to two orders of magnitude for certain systems. In many cases shown here, the new procedures are nearly as efficient as the commonly used surface hopping schemes, with little to no loss of accuracy. This implies that these modified SCMC algorithms will be of practical numerical solutions for simulating non-adiabatic dynamics in realistic molecular systems.
Irreconcilable difference between quantum walks and adiabatic quantum computing
NASA Astrophysics Data System (ADS)
Wong, Thomas G.; Meyer, David A.
2016-06-01
Continuous-time quantum walks and adiabatic quantum evolution are two general techniques for quantum computing, both of which are described by Hamiltonians that govern their evolutions by Schrödinger's equation. In the former, the Hamiltonian is fixed, while in the latter, the Hamiltonian varies with time. As a result, their formulations of Grover's algorithm evolve differently through Hilbert space. We show that this difference is fundamental; they cannot be made to evolve along each other's path without introducing structure more powerful than the standard oracle for unstructured search. For an adiabatic quantum evolution to evolve like the quantum walk search algorithm, it must interpolate between three fixed Hamiltonians, one of which is complex and introduces structure that is stronger than the oracle for unstructured search. Conversely, for a quantum walk to evolve along the path of the adiabatic search algorithm, it must be a chiral quantum walk on a weighted, directed star graph with structure that is also stronger than the oracle for unstructured search. Thus, the two techniques, although similar in being described by Hamiltonians that govern their evolution, compute by fundamentally irreconcilable means.
Conditions for super-adiabatic droplet growth after entrainment mixing
NASA Astrophysics Data System (ADS)
Yang, Fan; Shaw, Raymond; Xue, Huiwen
2016-07-01
Cloud droplet response to entrainment and mixing between a cloud and its environment is considered, accounting for subsequent droplet growth during adiabatic ascent following a mixing event. The vertical profile for liquid water mixing ratio after a mixing event is derived analytically, allowing the reduction to be predicted from the mixing fraction and from the temperature and humidity for both the cloud and environment. It is derived for the limit of homogeneous mixing. The expression leads to a critical height above the mixing level: at the critical height the cloud droplet radius is the same for both mixed and unmixed parcels, and the critical height is independent of the updraft velocity and mixing fraction. Cloud droplets in a mixed parcel are larger than in an unmixed parcel above the critical height, which we refer to as the "super-adiabatic" growth region. Analytical results are confirmed with a bin microphysics cloud model. Using the model, we explore the effects of updraft velocity, aerosol source in the environmental air, and polydisperse cloud droplets. Results show that the mixed parcel is more likely to reach the super-adiabatic growth region when the environmental air is humid and clean. It is also confirmed that the analytical predictions are matched by the volume-mean cloud droplet radius for polydisperse size distributions. The findings have implications for the origin of large cloud droplets that may contribute to onset of collision-coalescence in warm clouds.
Non-adiabatic molecular dynamics by accelerated semiclassical Monte Carlo
White, Alexander J.; Gorshkov, Vyacheslav N.; Tretiak, Sergei; Mozyrsky, Dmitry
2015-07-07
Non-adiabatic dynamics, where systems non-radiatively transition between electronic states, plays a crucial role in many photo-physical processes, such as fluorescence, phosphorescence, and photoisomerization. Methods for the simulation of non-adiabatic dynamics are typically either numerically impractical, highly complex, or based on approximations which can result in failure for even simple systems. Recently, the Semiclassical Monte Carlo (SCMC) approach was developed in an attempt to combine the accuracy of rigorous semiclassical methods with the efficiency and simplicity of widely used surface hopping methods. However, while SCMC was found to be more efficient than other semiclassical methods, it is not yet as efficient as is needed to be used for large molecular systems. Here, we have developed two new methods: the accelerated-SCMC and the accelerated-SCMC with re-Gaussianization, which reduce the cost of the SCMC algorithm up to two orders of magnitude for certain systems. In most cases shown here, the new procedures are nearly as efficient as the commonly used surface hopping schemes, with little to no loss of accuracy. This implies that these modified SCMC algorithms will be of practical numerical solutions for simulating non-adiabatic dynamics in realistic molecular systems.
Dynamics of Quantum Adiabatic Evolution Algorithm for Number Partitioning
NASA Technical Reports Server (NTRS)
Smelyanskiy, Vadius; vonToussaint, Udo V.; Timucin, Dogan A.; Clancy, Daniel (Technical Monitor)
2002-01-01
We have developed a general technique to study the dynamics of the quantum adiabatic evolution algorithm applied to random combinatorial optimization problems in the asymptotic limit of large problem size n. We use as an example the NP-complete Number Partitioning problem and map the algorithm dynamics to that of an auxiliary quantum spin glass system with the slowly varying Hamiltonian. We use a Green function method to obtain the adiabatic eigenstates and the minimum exitation gap, gmin = O(n2(sup -n/2)), corresponding to the exponential complexity of the algorithm for Number Partitioning. The key element of the analysis is the conditional energy distribution computed for the set of all spin configurations generated from a given (ancestor) configuration by simultaneous flipping of a fixed number of spins. For the problem in question this distribution is shown to depend on the ancestor spin configuration only via a certain parameter related to the energy of the configuration. As the result, the algorithm dynamics can be described in terms of one-dimensional quantum diffusion in the energy space. This effect provides a general limitation of a quantum adiabatic computation in random optimization problems. Analytical results are in agreement with the numerical simulation of the algorithm.
NMR implementation of adiabatic SAT algorithm using strongly modulated pulses.
Mitra, Avik; Mahesh, T S; Kumar, Anil
2008-03-28
NMR implementation of adiabatic algorithms face severe problems in homonuclear spin systems since the qubit selective pulses are long and during this period, evolution under the Hamiltonian and decoherence cause errors. The decoherence destroys the answer as it causes the final state to evolve to mixed state and in homonuclear systems, evolution under the internal Hamiltonian causes phase errors preventing the initial state to converge to the solution state. The resolution of these issues is necessary before one can proceed to implement an adiabatic algorithm in a large system where homonuclear coupled spins will become a necessity. In the present work, we demonstrate that by using "strongly modulated pulses" (SMPs) for the creation of interpolating Hamiltonian, one can circumvent both the problems and successfully implement the adiabatic SAT algorithm in a homonuclear three qubit system. This work also demonstrates that the SMPs tremendously reduce the time taken for the implementation of the algorithm, can overcome problems associated with decoherence, and will be the modality in future implementation of quantum information processing by NMR. PMID:18376911
NMR implementation of adiabatic SAT algorithm using strongly modulated pulses
NASA Astrophysics Data System (ADS)
Mitra, Avik; Mahesh, T. S.; Kumar, Anil
2008-03-01
NMR implementation of adiabatic algorithms face severe problems in homonuclear spin systems since the qubit selective pulses are long and during this period, evolution under the Hamiltonian and decoherence cause errors. The decoherence destroys the answer as it causes the final state to evolve to mixed state and in homonuclear systems, evolution under the internal Hamiltonian causes phase errors preventing the initial state to converge to the solution state. The resolution of these issues is necessary before one can proceed to implement an adiabatic algorithm in a large system where homonuclear coupled spins will become a necessity. In the present work, we demonstrate that by using "strongly modulated pulses" (SMPs) for the creation of interpolating Hamiltonian, one can circumvent both the problems and successfully implement the adiabatic SAT algorithm in a homonuclear three qubit system. This work also demonstrates that the SMPs tremendously reduce the time taken for the implementation of the algorithm, can overcome problems associated with decoherence, and will be the modality in future implementation of quantum information processing by NMR.
Adiabatic corrections to density functional theory energies and wave functions.
Mohallem, José R; Coura, Thiago de O; Diniz, Leonardo G; de Castro, Gustavo; Assafrão, Denise; Heine, Thomas
2008-09-25
The adiabatic finite-nuclear-mass-correction (FNMC) to the electronic energies and wave functions of atoms and molecules is formulated for density-functional theory and implemented in the deMon code. The approach is tested for a series of local and gradient corrected density functionals, using MP2 results and diagonal-Born-Oppenheimer corrections from the literature for comparison. In the evaluation of absolute energy corrections of nonorganic molecules the LDA PZ81 functional works surprisingly better than the others. For organic molecules the GGA BLYP functional has the best performance. FNMC with GGA functionals, mainly BLYP, show a good performance in the evaluation of relative corrections, except for nonorganic molecules containing H atoms. The PW86 functional stands out with the best evaluation of the barrier of linearity of H2O and the isotopic dipole moment of HDO. In general, DFT functionals display an accuracy superior than the common belief and because the corrections are based on a change of the electronic kinetic energy they are here ranked in a new appropriate way. The approach is applied to obtain the adiabatic correction for full atomization of alcanes C(n)H(2n+2), n = 4-10. The barrier of 1 mHartree is approached for adiabatic corrections, justifying its insertion into DFT. PMID:18537228
Bui, Kieu My; Dinh, Van An; Okada, Susumu; Ohno, Takahisa
2015-11-11
The crystal and electronic structures, electrochemical properties and diffusion mechanism of NASICON-type Na3V2(PO4)3 have been investigated based on the hybrid density functional Heyd-Scuseria-Ernzerhof (HSE06). A polaron-Na vacancy complex model for revealing the diffusion mechanism is proposed for the first time in the field of Na-ion batteries. The bound polaron is found to favorably form at the first nearest V site to the Na vacancy. Consequently, the movement of the Na vacancy will be accompanied by the polaron. Three preferable diffusion pathways are revealed; these are two intra-layer diffusion pathways and one inter-layer pathway. The activation barriers for the intra-layer and inter-layer pathways are 353 meV and 513 meV, respectively. For further comparison, the generalized gradient approximation with an onsite Coulomb Hubbard U (GGA+U) is also employed. PMID:26509737
Piezoelectric control of the mobility of a domain wall driven by adiabatic and non-adiabatic torques
NASA Astrophysics Data System (ADS)
de Ranieri, E.; Roy, P. E.; Fang, D.; Vehsthedt, E. K.; Irvine, A. C.; Heiss, D.; Casiraghi, A.; Campion, R. P.; Gallagher, B. L.; Jungwirth, T.; Wunderlich, J.
2013-09-01
The rich internal degrees of freedom of magnetic domain walls make them an attractive complement to electron charge for exploring new concepts of storage, transport and processing of information. Here we use the tunable internal structure of a domain wall in a perpendicularly magnetized GaMnAsP/GaAs ferromagnetic semiconductor and demonstrate devices in which piezoelectrically controlled magnetic anisotropy yields up to 500% mobility variations for an electrical-current-driven domain wall. We observe current-induced domain wall motion over a wide range of current-pulse amplitudes and report a direct observation and the piezoelectric control of the Walker breakdown separating two regimes with different mobilities. Our work demonstrates that in spin-orbit-coupled ferromagnets with weak extrinsic domain wall pinning, the piezoelectric control allows one to experimentally assess the upper and lower boundaries of the characteristic ratio of adiabatic and non-adiabatic spin-transfer torques in the current-driven domain wall motion.
Raj, S; Hashimoto, D; Matsui, H; Souma, S; Sato, T; Takahashi, T; Sarma, D D; Mahadevan, Priya; Oishi, S
2006-04-14
The electronic structure of the insulating sodium tungsten bronze, Na(0.025)WO(3), is investigated by high-resolution angle-resolved photoemission spectroscopy. We find that near-E(F) states are localized due to the strong disorder arising from random distribution of Na+ ions in the WO(3) lattice, which makes the system insulating. The temperature dependence of photoemission spectra provides direct evidence for polaron formation. The remnant Fermi surface of the insulator is found to be the replica of the real Fermi surface in the metallic system. PMID:16712121
NASA Astrophysics Data System (ADS)
Eskandari-asl, Amir
2016-09-01
We consider a single impurity Anderson model (SIAM) in which the quantum dot(QD) is strongly coupled to a phonon bath in polaron regime. This coupling results in an effective e-e attraction. By computing the self energies using a current conserving approximation which is up to second order in this effective attraction, we show that if the interaction is strong enough, in non particle-hole (PH) symmetric case, the system would be bi-stable and we have hysteresis loop in the I-V characteristic. Moreover, the system shows negative differential conductance in some bias voltage intervals.
Robitaille, P M; Merkle, H; Sublett, E; Hendrich, K; Lew, B; Path, G; From, A H; Bache, R J; Garwood, M; Uğurbil, K
1989-04-01
Adiabatic pulses have been employed in spectroscopic imaging and relaxation rate measurements at 4.7 T to demonstrate the feasibility of obtaining spectroscopic data from the complete sensitive volume of a surface coil using the surface coil as a transmitter and receiver. With conventional B1 sensitive pulses, spectroscopic localization or imaging techniques, such as chemical-shift imaging, yield resonance intensities that are distorted severely as a function of space, and maximal signal is detected from a small region within the complete sensitive volume of the coil. With adiabatic pulses, however, this problem is eliminated completely. In addition, a new method of spatial localization is introduced. This method, referred to as FLAX-ISIS, is a derivative of longitudinally modulated Fourier series window and ISIS approaches and utilizes adiabatic inversion and excitation pulses. The method allows construction of localized spectra for multiple regions along the surface coil axis by postacquisition data manipulation of a single set of free induction decays. These techniques were applied to the study of the myocardium using an implanted surface coil in an instrumented closed-chest canine model and in an open-chest preparation. The results demonstrate that one-dimensional techniques are adequate for transmural detection of metabolites provided signal origin is restricted to a column perpendicular to the left ventricle wall. PMID:2755331
Effective Landé factor in a GaMnAs quantum dot; with the effects of sp-d exchange on a bound polaron
NASA Astrophysics Data System (ADS)
Lalitha, D.; Peter, A. John
2014-04-01
The effective g-factor of conduction (valence) band electron (hole) is obtained in the GaMnAs quantum dot. Magneto bound polaron in a GaMnAs/Ga0.6Al0.4As quantum dot is investigated with the inclusion of exchange interaction effects due to Mn alloy content and the geometrical confinement. The spin polaronic energy of the heavy hole exciton is studied with the spatial confinement using a mean field theory in the presence of magnetic field strength.
Effective Landé factor in a GaMnAs quantum dot; with the effects of sp-d exchange on a bound polaron
Lalitha, D. Peter, A. John
2014-04-24
The effective g-factor of conduction (valence) band electron (hole) is obtained in the GaMnAs quantum dot. Magneto bound polaron in a GaMnAs/Ga{sub 0.6}Al{sub 0.4}As quantum dot is investigated with the inclusion of exchange interaction effects due to Mn alloy content and the geometrical confinement. The spin polaronic energy of the heavy hole exciton is studied with the spatial confinement using a mean field theory in the presence of magnetic field strength.
Regular and Irregular Correspondences ---Adiabatic Invariants in Classical and Quantum Mechanics---
NASA Astrophysics Data System (ADS)
Reinhardt, W. P.
We outline a rather extraordinary series of similarities between classical and quantal behavior in the limit of adiabatic time changes. These include the power laws for the goodness of the respective invariants for isolated eigenstates and invariant tori for integrable systems, the nature of the breakdown of the invariances--level crossing in quantum systems and the role of ever present non-linear resonances is examined in the case of generically non-integrable classical dynamics--and the perhaps surprising relationship for fully chaotic systems where sufficiently slow switching in either classical or quantal systems precisely preserves the number of energy levels up to a given energy. For suitably small values of Planck's constant these similarities yield clear examples of the Bohr correspondence principle linking classical and quantum mechanics; for larger values the details in the classical picture are quenched in the quantum.
Ab initio adiabatic and diabatic potential-energy curves of the LiH molecule
NASA Astrophysics Data System (ADS)
Boutalib, A.; Gadéa, F. X.
1992-07-01
For nearly all states below the ionic limit [i.e., Li(2s, 2p, 3s, 3p, 3d, 4s, and 4p)+H] we perform the first adiabatic and diabatic studies. This treatment involves a nonempirical pseudopotential for Li and a full configuration-interaction treatment of the valence-electron system. Core-valence correlation is taken into account according to a core-polarization-potential method. We present an analysis of the diabatic curves and introduce appropriate small corrections accounting for basis-set limitations. For the low-lying states, our vibrational level spacings and spectroscopic constants are in excellent agreement with the available experimental data and with the best all-electron results. Experimental suggestions are given for the higher states.
NASA Technical Reports Server (NTRS)
Stephens, S. A.; Mauger, B. G.
1985-01-01
On the basis of well established cosmic ray propagation models, the expected flux of antiprotons in cosmic rays within the few-hundred MeV region is small by comparison with the observed flux. Observational data are presently approached through the examination of the possibility of antiproton production by supernova (SN) envelopes during the expansion phase and while undergoing the consequent adiabatic deceleration. In the case of the SN explosions in dense clouds treated, the SN remnant is decelerated within a few thousand years, generating may antiprotons whose spectrum can be calculated by taking all energy loss processes into account and examining the remnant's spectral evolution. Attention is also given to the possibility of obtaining the antiproton spectrum with enhanced flux at low energies.
Role of polaron hopping in leakage current behavior of a SrTiO{sub 3} single crystal
Cao, Y. Randall, C. A.; Chen, L. Q.; Bhattacharya, S.; Shen, J.
2013-12-14
We studied the ionic/electronic transport and resistance degradation behavior of dielectric oxides by solving the electrochemical transport equations. Here, we took into account the non-periodical boundary conditions for the transport equations using the Chebyshev collocation algorithm. A sandwiched Ni|SrTiO{sub 3}|Ni capacitor is considered as an example under the condition of 1.0 V, 1.0 μm thickness for SrTiO{sub 3} layer, and a temperature of 150 °C. The applied voltage resulted in the migration of ionic defects (oxygen vacancies) from anode towards cathode. The simulated electric potential profile at steady state is in good agreement with the recent experimental observation. We introduced the possibility of polaron-hopping between Ti{sup 3+} and Ti{sup 4+} at the electrode interface. It is shown that both the oxygen vacancy transport and the polaron-hopping contribute to the resistance degradation of single crystal SrTiO{sub 3}, which is consistent with the experimental observations.
Insulator -- polaron conductor -- metal transitions in a complex oxide 12CaO.7Al2O3.
NASA Astrophysics Data System (ADS)
Sushko, P.; Shluger, A.; Stoneham, A.; Hayashi, K.; Matsuishi, S.; Hirano, M.; Hosono, H.
2006-03-01
Recent experiments have demonstrated that a complex nano-porous oxide 12CaO.7Al2O3 (C12A7) built of positively charged sub-nanometer cages can be converted from a transparent insulator to a transparent conductor by H2 doping followed by UV-light irradiation with 4--4.5 eV photons [1]. This irradiation induces optical absorption bands with maxima at 0.4 eV and 2.8 eV and high concentrations of unpaired electrons. We use ab initio calculations to reveal the mechanism of photo-induced insulator--conductor transition and the role of H atoms in this process and to elucidate the transport properties of the electrons in this system as a function of electron concentration. Our theoretical modeling suggests that at concentration below 10^20 cm-3 electrons are responsible for the polaron type electrical conductivity with the activation energy close to 0.1 eV as well as for the optical absorption at 0.4 eV and 2.8 eV [2]. We demonstrate that, as the electron concentration exceeds 10^20 cm-3, the character of electronic conductivity changes from polaron type to metallic. [1] K. Hayashi et al., Nature 419, 462 (2002). [2] P.V. Sushko, et al., Phys. Rev. Lett. 91, 126401 (2003); P.V. Sushko et al., Appl. Phys. Lett. 86, 092101 (2005).
NASA Astrophysics Data System (ADS)
Khatib, O.; Mueller, A. S.; Stinson, H. T.; Yuen, J. D.; Heeger, A. J.; Basov, D. N.
2014-12-01
A resurgence in the use of the donor-acceptor approach in synthesizing conjugated polymers has resulted in a family of high-mobility ambipolar systems with exceptionally narrow energy bandgaps below 1 eV. The ability to transport both electrons and holes is critical for device applications such as organic light-emitting diodes and transistors. Infrared spectroscopy offers direct access to the low-energy excitations associated with injected charge carriers. Here we use a diffraction-limited IR microscope to probe the spectroscopic signatures of electron and hole injection in the conduction channel of an organic field-effect transistor based on an ambipolar DA polymer polydiketopyrrolopyrrole-benzobisthiadiazole. We observe distinct polaronic absorptions for both electrons and holes and spatially map the carrier distribution from the source to drain electrodes for both unipolar and ambipolar biasing regimes. For ambipolar device configurations, we observe the spatial evolution of hole-induced to electron-induced polaron absorptions throughout the transport path. Our work provides a platform for combined transport and infrared studies of organic semiconductors on micron length scales relevant to functional devices.
NASA Astrophysics Data System (ADS)
Conradson, Steven D.; Andersson, David A.; Bagus, Paul S.; Boland, Kevin S.; Bradley, Joseph A.; Byler, Darrin D.; Clark, David L.; Conradson, Dylan R.; Espinosa-Faller, Francisco J.; Lezama Pacheco, Juan S.; Martucci, Mary B.; Nordlund, Dennis; Seidler, Gerald T.; Valdez, James A.
2016-05-01
Hypervalent UO2, UO2(+x) formed by both addition of excess O and photoexcitation, exhibits a number of unusual or often unique properties that point to it hosting a polaronic Bose-Einstein(-Mott) condensate. A more thorough analysis of the O X-ray absorption spectra of UO2, U4O9, and U3O7 shows that the anomalous increase in the width of the spectral features assigned to predominantly U 5f and 6d final states that points to increased dispersion of these bands occurs on the low energy side corresponding to the upper edge of the gap bordered by the conduction or upper Hubbard band. The closing of the gap by 1.5 eV is more than twice as much as predicted by calculations, consistent with the dynamical polaron found by structural measurements. In addition to fostering the excitation that is the proposed mechanism for the coherence, the likely mirroring of this effect on the occupied, valence side of the gap below the Fermi level points to increased complexity of the electronic structure that could be associated with the Fermi topology of BEC-BCS crossover and two band superconductivity.
Lee, Chee Kong; Moix, Jeremy; Cao, Jianshu
2015-04-28
Quantum transport in disordered systems is studied using a polaron-based master equation. The polaron approach is capable of bridging the results from the coherent band-like transport regime governed by the Redfield equation to incoherent hopping transport in the classical regime. A non-monotonic dependence of the diffusion coefficient is observed both as a function of temperature and system-phonon coupling strength. In the band-like transport regime, the diffusion coefficient is shown to be linearly proportional to the system-phonon coupling strength and vanishes at zero coupling due to Anderson localization. In the opposite classical hopping regime, we correctly recover the dynamics described by the Fermi’s Golden Rule and establish that the scaling of the diffusion coefficient depends on the phonon bath relaxation time. In both the hopping and band-like transport regimes, it is demonstrated that at low temperature, the zero-point fluctuations of the bath lead to non-zero transport rates and hence a finite diffusion constant. Application to rubrene and other organic semiconductor materials shows a good agreement with experimental mobility data.
Lee, Chee Kong; Moix, Jeremy; Cao, Jianshu
2015-04-28
Quantum transport in disordered systems is studied using a polaron-based master equation. The polaron approach is capable of bridging the results from the coherent band-like transport regime governed by the Redfield equation to incoherent hopping transport in the classical regime. A non-monotonic dependence of the diffusion coefficient is observed both as a function of temperature and system-phonon coupling strength. In the band-like transport regime, the diffusion coefficient is shown to be linearly proportional to the system-phonon coupling strength and vanishes at zero coupling due to Anderson localization. In the opposite classical hopping regime, we correctly recover the dynamics described by the Fermi's Golden Rule and establish that the scaling of the diffusion coefficient depends on the phonon bath relaxation time. In both the hopping and band-like transport regimes, it is demonstrated that at low temperature, the zero-point fluctuations of the bath lead to non-zero transport rates and hence a finite diffusion constant. Application to rubrene and other organic semiconductor materials shows a good agreement with experimental mobility data. PMID:25933748
NASA Astrophysics Data System (ADS)
van Eersel, H.; Bobbert, P. A.; Janssen, R. A. J.; Coehoorn, R.
2016-04-01
We report the results of a systematic study of the interplay of triplet-polaron quenching (TPQ) and triplet-triplet annihilation (TTA) on the efficiency roll-off of organic light-emitting diodes (OLEDs) with increasing current density. First, we focus on OLEDs based on the green phosphorescent emitter tris[2-phenylpyridine]iridium(III) (Ir(ppy)3) and the red phosphorescent dye platinum octaethylporphyrin. It is found that the experimental data can be reproduced using kinetic Monte Carlo (kMC) simulations within which TPQ and TTA are due to a nearest-neighbor (NN) interaction, or due to a more long-range Förster-type process. Furthermore, we find a subtle interplay between TPQ and TTA: decreasing the contribution of one process can increase the contribution of the other process, so that the roll-off is not significantly reduced. Furthermore, we find that just analyzing the shape of the roll-off is insufficient for determining the relative role of TPQ and TTA. Subsequently, we investigate the wider validity of this picture using kMC simulations for idealized but realistic symmetric OLEDs, with an emissive layer containing a small concentration of phosphorescent dye molecules in a matrix material. Whereas for NN-interactions the roll-off can be reduced when the dye molecules act as shallow hole and electron traps, we find that such an approach becomes counterproductive for long-range TTA and TPQ. Developing well-founded OLED design rules will thus require that more quantitative information is available on the rate and detailed mechanism of the TPQ and TTA processes.